UCSF

ZINC04930248

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 25 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) 0.74 8.64 -51.47 1 9 1 93 350.399 5
Mid Mid (pH 6-8) 0.74 9.09 -124.46 2 9 2 94 351.407 5

Activity (Go SEA)

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