UCSF

ZINC37213914

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 2.48 8.04 -36.9 2 3 1 29 289.443 6
Mid Mid (pH 6-8) 2.48 8.58 -34.89 2 3 1 26 289.443 6
Lo Low (pH 4.5-6) 2.48 9.82 -117.11 3 3 2 30 290.451 6

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

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