UCSF

ZINC42901492

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 18 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) 0.39 1.61 -56.64 3 4 1 65 269.39 3
Lo Low (pH 4.5-6) 0.39 2.84 -137.98 4 4 2 66 270.398 3

Activity (Go SEA)

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