UCSF

ZINC04267654

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 30 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) 2.75 8.41 -16.85 1 7 0 84 398.47 5
Lo Low (pH 4.5-6) 2.75 8.92 -35.83 2 7 1 85 399.478 5

Activity (Go SEA)

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