UCSF

ZINC35625072

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) 2.82 4.97 -3.39 1 3 0 24 317.26 6
Mid Mid (pH 6-8) 2.82 5.97 -43.67 2 3 1 29 318.268 6
Lo Low (pH 4.5-6) 2.82 7.24 -39.81 2 3 1 26 318.268 6

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

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