UCSF

ZINC43411984

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 2.14 7.31 -46.6 3 4 1 48 233.339 3
Hi High (pH 8-9.5) 2.14 4.95 -7.51 2 4 0 47 232.331 3
Mid Mid (pH 6-8) 2.14 7.78 -88.56 4 4 2 50 234.347 3

Activity (Go SEA)

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