UCSF

ZINC04171048

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 23 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) 0.92 -6.99 -18.58 6 8 0 136 332.389 5
Lo Low (pH 4.5-6) 0.92 -6.76 -47 7 8 1 137 333.397 5
Lo Low (pH 4.5-6) 0.92 -6.59 -115.97 8 8 2 138 334.405 5

Activity (Go SEA)

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