UCSF

ZINC47465914

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2010 19 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) 0.03 -0.11 -9.45 1 6 0 67 264.329 5
Mid Mid (pH 6-8) 0.03 2.16 -44.63 2 6 1 69 265.337 5

Activity (Go SEA)

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