UCSF

ZINC38809898

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 10 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) 0.56 2.38 -40.46 4 3 1 56 140.21 2
Mid Mid (pH 6-8) 0.56 2.19 -94.84 5 3 2 58 141.218 2
Mid Mid (pH 6-8) 0.56 1.69 -48.18 4 3 1 56 140.21 2

Activity (Go SEA)

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