UCSF

ZINC69697892

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 20 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) 2.34 6.26 -30.13 1 4 1 26 285.452 7
Mid Mid (pH 6-8) 2.34 4.12 -3.59 0 4 0 25 284.444 7
Mid Mid (pH 6-8) 2.34 6.37 -30.13 1 4 1 26 285.452 7

Activity (Go SEA)

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

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