UCSF

ZINC19512076

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 12 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) 1.37 6.59 -42.85 1 2 1 28 167.276 2
Hi High (pH 8-9.5) 1.37 4.43 -4.86 0 2 0 27 166.268 2

Activity (Go SEA)

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