UCSF

ZINC22936674

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 19 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) 2.39 8.96 -113.9 3 3 2 24 263.429 6
Mid Mid (pH 6-8) 2.39 7.69 -28.81 2 3 1 20 262.421 6

Activity (Go SEA)

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