UCSF

ZINC71380830

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2011 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) 3.44 9.39 -67.2 2 4 0 70 273.332 6
Hi High (pH 8-9.5) 3.44 8.26 -48.49 1 4 -1 65 272.324 6

Activity (Go SEA)

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