UCSF

ZINC34976104

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 3.48 7.48 -28.39 3 3 1 45 248.325 3
Mid Mid (pH 6-8) 3.48 7.36 -6.74 2 3 0 44 247.317 3

Activity (Go SEA)

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