UCSF

ZINC42461649

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 1.08 4.03 -94.25 4 3 2 35 227.396 4
Hi High (pH 8-9.5) 1.08 1.91 -41.57 3 3 1 34 226.388 4

Activity (Go SEA)

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