UCSF

ZINC39317534

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 14 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) 1.89 5.69 -31.64 2 3 1 39 189.238 2
Mid Mid (pH 6-8) 1.89 4.88 -8.1 1 3 0 38 188.23 2

Activity (Go SEA)

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