UCSF

ZINC69899089

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 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) 1.17 5.95 -38.12 3 7 1 88 327.412 3
Mid Mid (pH 6-8) 1.17 5.39 -16.19 2 7 0 87 326.404 3
Mid Mid (pH 6-8) 1.17 5.56 -40.62 3 7 1 88 327.412 3

Activity (Go SEA)

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

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