UCSF

ZINC37832987

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 0.68 5.17 -45.13 0 5 -1 70 240.279 3
Lo Low (pH 4.5-6) 0.68 3.2 -7.85 1 5 0 67 241.287 3

Activity (Go SEA)

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