UCSF

ZINC39952348

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 19 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) 2.72 6.43 -75.34 2 4 0 60 262.353 5
Hi High (pH 8-9.5) 2.72 5.3 -48.69 1 4 -1 55 261.345 5
Mid Mid (pH 6-8) 2.72 8.69 -147.3 3 4 1 61 263.361 5

Activity (Go SEA)

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