UCSF

ZINC69917937

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) 2.93 10.64 -10.46 0 5 0 49 324.428 5
Mid Mid (pH 6-8) 2.93 11.11 -34.89 1 5 1 51 325.436 5
Lo Low (pH 4.5-6) 2.93 11.11 -35.7 1 5 1 51 325.436 5

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

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