UCSF

ZINC62861817

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2011 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) 0.79 4.63 -91.68 3 2 2 21 158.289 2
Mid Mid (pH 6-8) 0.79 2.71 -36.52 2 2 1 20 157.281 2

Activity (Go SEA)

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