UCSF

ZINC14010817

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 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) 4.45 11.03 -35.63 1 2 1 8 315.525 5
Lo Low (pH 4.5-6) 4.45 13.13 -106.92 2 2 2 9 316.533 5

Activity (Go SEA)

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