UCSF

ZINC65593514

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 19 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) 0.89 4.31 -54.54 3 5 1 59 278.405 4
Mid Mid (pH 6-8) 0.89 3.12 -9.89 2 5 0 55 277.397 4
Mid Mid (pH 6-8) 0.89 4.42 -96.8 4 5 2 61 279.413 4

Activity (Go SEA)

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

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