UCSF

ZINC00952223

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 31 Yes

Popular Name: N-[3-[(7S)-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetam N-[3-[(7S)-7-(3,4,5-trimethoxyph…

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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) 1.92 9.74 -21.11 1 9 0 100 421.457 6 ↓
Mid Mid (pH 6-8) 1.93 11.08 -57.25 3 9 1 104 422.465 6 ↓
Lo Low (pH 4.5-6) 1.92 10.08 -49.42 2 9 1 101 422.465 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80156-2-O HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other Other 330 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80156 Z80156 HL-60 (Promyeloblast Leukemia Cells) 330 0.29 Functional ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.