UCSF

ZINC04271762

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 24 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) 2.54 8.82 -26.85 0 7 0 79 318.34 3
Lo Low (pH 4.5-6) 2.54 9.22 -56.69 1 7 1 80 319.348 3

Activity (Go SEA)

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