UCSF

ZINC42407804

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 14 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) 1.85 1.14 -66.31 2 4 0 65 213.306 5
Mid Mid (pH 6-8) 1.39 2.66 -53.51 3 4 1 62 214.314 5
Mid Mid (pH 6-8) 1.39 3.22 -49.51 3 4 1 62 214.314 5

Activity (Go SEA)

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