UCSF

ZINC06316565

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 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) 3.14 5.55 -46.68 0 4 -1 65 306.338 4
Mid Mid (pH 6-8) 3.14 5.52 -12.73 1 4 0 63 307.346 4

Activity (Go SEA)

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