UCSF

ZINC35784301

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 16 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) 1.65 2.33 -1.44 2 3 0 38 226.364 1
Lo Low (pH 4.5-6) 1.65 4.47 -31.59 3 3 1 40 227.372 1
Lo Low (pH 4.5-6) 1.65 4.42 -119.49 4 3 2 41 228.38 1

Activity (Go SEA)

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