UCSF

ZINC43994410

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 13 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) 1.10 5.44 -91.8 3 3 2 36 183.299 4
Hi High (pH 8-9.5) 1.10 4.97 -48.31 2 3 1 34 182.291 4

Activity (Go SEA)

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