UCSF

ZINC37242281

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 15 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) 1.79 5.43 -37.97 2 2 1 16 209.288 3
Lo Low (pH 4.5-6) 1.79 6.72 -115.49 3 2 2 21 210.296 3

Activity (Go SEA)

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