UCSF

ZINC19595677

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 26 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) 1.90 5.88 -44.34 3 5 1 57 358.506 5
Hi High (pH 8-9.5) 1.90 6.67 -64.72 2 5 0 60 357.498 5

Activity (Go SEA)

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