UCSF

ZINC37999649

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 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) 1.71 5.16 -79.37 2 6 1 97 299.372 5
Hi High (pH 8-9.5) 1.71 3.83 -17.31 1 6 0 92 298.364 5

Activity (Go SEA)

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