UCSF

ZINC40951173

Substance Information

In ZINC since Heavy atoms Benign functionality
April 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) 2.22 6.05 -40.92 2 4 1 52 255.326 3
Hi High (pH 8-9.5) 2.22 5.59 -8.41 1 4 0 51 254.318 3

Activity (Go SEA)

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