UCSF

ZINC43409780

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 0.56 1.61 -38.38 6 5 1 96 247.322 3
Hi High (pH 8-9.5) 0.56 1.27 -9.41 5 5 0 94 246.314 3
Mid Mid (pH 6-8) 0.56 1.91 -89.14 7 5 2 97 248.33 3

Activity (Go SEA)

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