UCSF

ZINC37188048

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 No

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) 2.40 2.92 -14.42 1 4 0 59 316.492 4
Mid Mid (pH 6-8) 2.40 3.92 -59.74 2 4 1 64 317.5 4

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

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