UCSF

ZINC20544657

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 21 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) 2.48 8.16 -41.78 2 5 1 56 294.419 9
Hi High (pH 8-9.5) 2.48 6.12 -5.98 1 5 0 54 293.411 9

Activity (Go SEA)

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