UCSF

ZINC34224361

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 12 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) -0.28 1.72 -39.37 2 3 1 38 165.216 2
Mid Mid (pH 6-8) -0.28 -1.47 -7.93 1 3 0 36 164.208 2

Activity (Go SEA)

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