UCSF

ZINC19398031

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 11 No

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) 1.99 4.75 -35.91 1 2 1 17 158.265 6
Hi High (pH 8-9.5) 1.99 2.68 -3.38 0 2 0 16 157.257 6

Activity (Go SEA)

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