UCSF

ZINC49916687

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 30 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) 0.72 0 -14.34 3 9 0 133 410.43 5
Mid Mid (pH 6-8) 0.72 1.53 -49.3 4 9 1 128 411.438 5

Activity (Go SEA)

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

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