UCSF

ZINC41720837

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) 2.40 7.19 -31.36 2 4 1 46 272.372 6
Hi High (pH 8-9.5) 2.40 6.76 -12.96 1 4 0 45 271.364 6

Activity (Go SEA)

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