UCSF

ZINC42913928

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 0.20 3.89 -57.06 3 4 1 51 268.356 5
Mid Mid (pH 6-8) 0.20 5.28 -131.24 4 4 2 52 269.364 5

Activity (Go SEA)

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