UCSF

ZINC06423702

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 24 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) 3.10 8.73 -7.95 2 7 0 85 329.404 2
Lo Low (pH 4.5-6) 3.10 7.85 -48.08 3 7 1 89 330.412 2

Activity (Go SEA)

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