UCSF

ZINC13538413

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 24 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) 4.41 10.46 -52.07 1 4 -1 77 335.464 13
Lo Low (pH 4.5-6) 4.25 8.79 -10.84 2 4 0 75 336.472 13
Lo Low (pH 4.5-6) 4.25 8.62 -10.8 2 4 0 75 336.472 13
Lo Low (pH 4.5-6) 4.57 8.83 -8.8 2 4 0 75 336.472 13
Lo Low (pH 4.5-6) 4.41 8.46 -12.68 2 4 0 75 336.472 13

Activity (Go SEA)

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