UCSF

ZINC43707713

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 17 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) 1.25 4.7 -54.17 3 4 1 55 235.307 3
Hi High (pH 8-9.5) 1.25 3.35 -10.16 2 4 0 50 234.299 3

Activity (Go SEA)

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