UCSF

ZINC35054462

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 21 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) 1.52 7.36 -37.02 2 5 1 56 293.387 6
Mid Mid (pH 6-8) 1.52 6.35 -46.86 2 5 1 59 293.387 6
Lo Low (pH 4.5-6) 1.52 8.55 -113.52 3 5 2 60 294.395 6

Activity (Go SEA)

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