UCSF

ZINC38210231

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 31 Yes

Popular Name: 1-[(1R)-6-chloro-1-(p-tolyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3-phenyl-propan-1-one 1-[(1R)-6-chloro-1-(p-tolyl)-1,3…

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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) 6.70 14.97 -9.71 1 3 0 36 428.963 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z103014-1-O Human Papillomavirus - 16 (cluster #1 Of 1), Other Other 62 0.33 Functional ≤ 10μM
Z103014-1-O Human Papillomavirus - 16 (cluster #1 Of 1), Other Other 7700 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z103014 Z103014 Human Papillomavirus - 16 7700 0.23 Functional ≤ 10μM

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