UCSF

ZINC43411991

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 4.06 8.35 -40.31 2 3 1 29 318.388 5
Hi High (pH 8-9.5) 4.06 6.2 -5.39 1 3 0 28 317.38 5

Activity (Go SEA)

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