UCSF

ZINC24690645

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2009 20 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) 1.15 6.55 -19.41 2 6 0 83 269.308 5
Mid Mid (pH 6-8) 1.15 7.04 -48.8 3 6 1 84 270.316 5

Activity (Go SEA)

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