UCSF

ZINC20268262

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 13 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) -0.07 1.99 -45.63 2 3 1 33 178.259 1
Hi High (pH 8-9.5) -0.07 0.6 -3.65 1 3 0 28 177.251 1

Activity (Go SEA)

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