UCSF

ZINC67490640

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 22 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) 2.21 6.12 -86.11 4 6 2 78 305.426 7
Mid Mid (pH 6-8) 2.21 5.67 -10.86 2 6 0 76 303.41 7
Mid Mid (pH 6-8) 2.21 5.96 -32.99 3 6 1 77 304.418 7

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.