UCSF

ZINC20253205

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 16 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) 0.61 2.84 -49.38 3 4 1 59 242.368 6
Mid Mid (pH 6-8) 0.61 1.43 -13.44 2 4 0 54 241.36 6

Activity (Go SEA)

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