UCSF

ZINC07494356

Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 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) 4.94 12.3 -10.56 1 3 0 32 336.479 5
Mid Mid (pH 6-8) 4.94 12.5 -34.22 2 3 1 34 337.487 5

Activity (Go SEA)

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