UCSF

ZINC19904570

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 2.31 3.1 -34.14 3 3 1 46 210.297 5
Hi High (pH 8-9.5) 2.31 3.89 -41.65 2 3 0 49 209.289 5

Activity (Go SEA)

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