UCSF

ZINC35732750

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 14 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) 3.96 7.49 -35.41 2 1 1 17 230.784 4
Hi High (pH 8-9.5) 3.96 6.43 -1.66 1 1 0 12 229.776 4

Activity (Go SEA)

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