UCSF

ZINC19419242

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 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) 0.54 -1.12 -9.15 2 5 0 56 294.395 8
Mid Mid (pH 6-8) 0.54 1.3 -43.18 3 5 1 57 295.403 8
Mid Mid (pH 6-8) 0.54 1.28 -37.85 3 5 1 57 295.403 8

Activity (Go SEA)

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