UCSF

ZINC44983859

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 17 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) 2.88 7.26 -41.03 2 2 1 29 233.379 4
Mid Mid (pH 6-8) 2.88 7.81 -103.22 3 2 2 31 234.387 4

Activity (Go SEA)

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