UCSF

ZINC37839115

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 2.76 6.65 -49.95 3 4 1 57 275.372 2
Mid Mid (pH 6-8) 2.76 6.73 -9.39 2 4 0 56 274.364 2

Activity (Go SEA)

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