UCSF

ZINC20274837

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 31 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) 3.85 8.27 -11.44 1 6 0 54 437.462 8
Mid Mid (pH 6-8) 3.85 10.61 -42.54 2 6 1 55 438.47 8

Activity (Go SEA)

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