UCSF

ZINC20926114

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 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) 3.28 8.17 -55.23 2 3 1 39 336.253 7
Hi High (pH 8-9.5) 3.28 6.75 -6.74 1 3 0 34 335.245 7

Activity (Go SEA)

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