UCSF

ZINC39883768

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 20 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) 2.04 5.95 -12.45 0 4 0 37 272.348 2
Mid Mid (pH 6-8) 2.04 8.3 -50.41 1 4 1 38 273.356 2

Activity (Go SEA)

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