UCSF

ZINC13284775

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2008 13 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) 1.60 3.39 -7.24 4 4 0 78 194.625 0
Mid Mid (pH 6-8) 1.60 3.75 -27.92 5 4 1 79 195.633 0
Mid Mid (pH 6-8) 1.60 -1.96 -27.47 5 4 1 79 195.633 0

Activity (Go SEA)

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