UCSF

ZINC36200177

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 17 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) 2.80 5.71 -46.63 3 3 1 48 239.383 5
Mid Mid (pH 6-8) 2.80 5.53 -5.92 2 3 0 46 238.375 5

Activity (Go SEA)

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