UCSF

ZINC40832421

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 14 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) -1.63 -1.98 -96.6 6 5 2 83 203.286 5
Hi High (pH 8-9.5) -1.63 -3.38 -51.95 5 5 1 78 202.278 5

Activity (Go SEA)

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