UCSF

ZINC37143832

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 16 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) -1.27 0.47 -14.73 2 5 0 59 245.348 5
Lo Low (pH 4.5-6) -1.27 2.68 -46.09 3 5 1 60 246.356 5

Activity (Go SEA)

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