UCSF

ZINC11616964

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 28 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) 1.45 -12.89 -16.03 6 11 0 164 391.432 5
Lo Low (pH 4.5-6) 1.45 -12.66 -29.72 7 11 1 165 392.44 5
Lo Low (pH 4.5-6) 1.45 -12.67 -28.1 7 11 1 165 392.44 5

Activity (Go SEA)

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