UCSF

ZINC42466031

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) -0.37 -0.88 -37.98 5 6 1 100 244.315 5
Hi High (pH 8-9.5) -0.37 -1.22 -13.13 4 6 0 99 243.307 5

Activity (Go SEA)

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