UCSF

ZINC14869491

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2008 21 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) 1.80 1.62 -12.56 2 6 0 88 325.777 4
Hi High (pH 8-9.5) 1.80 1.66 -46.25 1 6 -1 90 324.769 4

Activity (Go SEA)

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