UCSF

ZINC34824194

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 21 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) 2.83 10.11 -83.74 3 3 2 24 293.43 6
Mid Mid (pH 6-8) 2.83 7.91 -41.35 2 3 1 23 292.422 6

Activity (Go SEA)

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