UCSF

ZINC45689472

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 1.79 4.53 -33.84 3 4 1 45 225.36 7
Mid Mid (pH 6-8) 1.79 3.65 -37.18 3 4 1 49 225.36 7
Mid Mid (pH 6-8) 1.79 5.74 -115.53 4 4 2 50 226.368 7

Activity (Go SEA)

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