UCSF

ZINC20553098

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 17 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) -1.02 -3.56 -63.99 6 6 1 117 258.323 6
Hi High (pH 8-9.5) -1.02 -3.99 -84.23 5 6 0 119 257.315 6

Activity (Go SEA)

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