UCSF

ZINC69844636

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 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) 0.46 1.3 -55.24 0 5 -1 73 277.325 4
Mid Mid (pH 6-8) 0.28 3.9 -15.88 1 5 0 66 278.333 4
Mid Mid (pH 6-8) 0.28 3.83 -15.13 1 5 0 66 278.333 4

Activity (Go SEA)

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

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