UCSF

ZINC39952074

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 11 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) 0.32 3.75 -48.2 3 1 1 28 154.208 1
Hi High (pH 8-9.5) 0.32 3.44 -3.26 2 1 0 26 153.2 1

Activity (Go SEA)

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