UCSF

ZINC06475893

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 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) 2.21 6.22 -16.35 1 4 0 65 216.269 3
Mid Mid (pH 6-8) 2.21 6.06 -38.23 0 4 -1 64 215.261 3

Activity (Go SEA)

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