UCSF

ZINC34538203

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 15 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) 2.31 7.02 -38.59 1 3 1 21 226.731 2
Mid Mid (pH 6-8) 2.31 4.62 -6.48 0 3 0 19 225.723 2

Activity (Go SEA)

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