UCSF

ZINC37114051

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.13 5.65 -47.36 3 4 1 55 280.388 7
Hi High (pH 8-9.5) 1.13 5.31 -5.61 2 4 0 54 279.38 7

Activity (Go SEA)

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