UCSF

ZINC40460805

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 15 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) 1.84 6.88 -39.32 1 3 1 30 209.313 2
Hi High (pH 8-9.5) 1.84 4.68 -5.94 0 3 0 29 208.305 2

Activity (Go SEA)

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