UCSF

ZINC20453940

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 2.34 8.7 -94.98 3 3 2 29 278.44 6
Hi High (pH 8-9.5) 2.34 6.47 -35.47 2 3 1 28 277.432 6

Activity (Go SEA)

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