UCSF

ZINC43447224

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 2.46 5.95 -48.08 3 4 1 63 238.307 8
Hi High (pH 8-9.5) 2.46 5.55 -9.03 2 4 0 62 237.299 8

Activity (Go SEA)

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