UCSF

ZINC38148193

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 45 No

Popular Name: (+)-Fangchinoline; (+)-Limacine; (1-beta)-2,2'-Dimethyl-6,6',12-trimethoxyberbaman-7-ol; 7-O-Demethyltetrandrine; Berbaman-7-ol, 2,2'-dimethyl-6,6',12-trimethoxy-, (1-beta)-; Fangchinoline (6CI,7CI,8CI); LS-43433; NSC 77036 (+)-Fangchinoline; (+)-Limacine;…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.27 9.71 -15.94 1 8 0 73 608.735 3 ↓
Lo Low (pH 4.5-6) 6.27 12.91 -54.44 2 8 1 74 609.743 3 ↓
Lo Low (pH 4.5-6) 6.27 13.08 -46.27 2 8 1 74 609.743 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 306 0.20 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 179 0.21 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )