UCSF

ZINC39070052

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 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) -0.37 1 -7.03 1 3 0 32 154.213 1
Mid Mid (pH 6-8) -0.37 2.28 -49.19 2 3 1 37 155.221 1

Activity (Go SEA)

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