UCSF

ZINC43388125

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 3.62 6.67 -41.74 2 2 1 29 269.34 3
Hi High (pH 8-9.5) 3.62 5.37 -3.51 1 2 0 25 268.332 3

Activity (Go SEA)

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