UCSF

ZINC43705069

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) 1.64 5.53 -50.31 2 4 1 44 246.334 2
Mid Mid (pH 6-8) 1.64 4.16 -10.59 1 4 0 39 245.326 2
Lo Low (pH 4.5-6) 1.64 5.97 -95.68 3 4 2 45 247.342 2

Activity (Go SEA)

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