UCSF

ZINC64976583

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 24 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) 2.31 0.04 -14.13 3 8 0 113 367.77 3
Mid Mid (pH 6-8) 2.28 0.82 -40.45 2 8 1 112 366.762 3
Mid Mid (pH 6-8) 2.31 0.49 -40.16 2 8 -1 115 366.762 3

Activity (Go SEA)

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

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