UCSF

ZINC49112684

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 31 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) 4.84 15.18 -42.61 2 3 1 33 410.516 5
Lo Low (pH 4.5-6) 4.84 15.66 -91.67 3 3 2 34 411.524 5

Activity (Go SEA)

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