UCSF

ZINC12535511

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) 1.94 5.13 -8.39 1 5 0 52 284.363 3
Mid Mid (pH 6-8) 1.94 7.48 -40.8 2 5 1 53 285.371 3
Mid Mid (pH 6-8) 1.94 7.34 -46.56 2 5 1 53 285.371 3

Activity (Go SEA)

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