UCSF

ZINC53129604

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

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) -0.04 1.38 -52.56 3 5 1 79 219.268 5
Lo Low (pH 4.5-6) -0.04 1.84 -95.19 4 5 2 81 220.276 5

Activity (Go SEA)

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