UCSF

ZINC69950696

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 23 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) 2.20 4.99 -38.52 1 5 1 43 315.441 5
Mid Mid (pH 6-8) 2.20 2.83 -9.39 0 5 0 41 314.433 5
Mid Mid (pH 6-8) 2.20 5.05 -38.29 1 5 1 43 315.441 5

Activity (Go SEA)

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

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