UCSF

ZINC39120816

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 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) 2.28 3.6 -6.81 0 3 0 31 173.171 0
Mid Mid (pH 6-8) 2.28 4.05 -30.45 1 3 1 33 174.179 0

Activity (Go SEA)

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