UCSF

ZINC19883456

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 26 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) 0.65 6.7 -72.13 1 7 0 91 355.394 7
Lo Low (pH 4.5-6) 0.65 7.14 -114.64 2 7 1 92 356.402 7
Lo Low (pH 4.5-6) 0.65 6.32 -108.62 3 7 2 89 357.41 7
Lo Low (pH 4.5-6) 0.65 5.89 -47.34 2 7 1 88 356.402 7

Activity (Go SEA)

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