UCSF

ZINC06457821

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 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) 3.45 7.12 -22.55 2 6 0 80 358.398 6
Hi High (pH 8-9.5) 3.45 6.96 -46.08 1 6 -1 78 357.39 6

Activity (Go SEA)

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