UCSF

ZINC37039118

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) -0.56 -0.17 -51.84 3 6 1 71 279.43 6
Lo Low (pH 4.5-6) -0.56 1.85 -126.82 4 6 2 73 280.438 6

Activity (Go SEA)

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