UCSF

ZINC20485568

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) 1.92 8.67 -40.77 3 3 1 48 277.432 9
Hi High (pH 8-9.5) 1.92 8.3 -7.68 2 3 0 46 276.424 9

Activity (Go SEA)

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