UCSF

ZINC43700590

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 19 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) -1.46 -0.97 -84.8 1 9 -2 138 267.197 2
Mid Mid (pH 6-8) -1.92 -0.38 -45.57 2 9 -1 135 268.205 2

Activity (Go SEA)

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