UCSF

ZINC41685332

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) -0.22 4.07 -48.79 3 7 1 92 288.368 11
Mid Mid (pH 6-8) -0.22 2.7 -15.86 2 7 0 88 287.36 11

Activity (Go SEA)

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