UCSF

ZINC21746167

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 30 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) 3.42 7.89 -28.54 2 7 0 101 444.582 8
Hi High (pH 8-9.5) 3.49 6.99 -56.83 1 7 -1 107 443.574 8

Activity (Go SEA)

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