UCSF

ZINC41684642

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 14 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) -0.32 0.39 -11.59 1 6 0 76 224.282 7
Hi High (pH 8-9.5) -0.32 0.02 -42.92 0 6 -1 78 223.274 7

Activity (Go SEA)

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