UCSF

ZINC37096984

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 1.26 4.04 -25.19 3 3 1 34 252.426 5
Hi High (pH 8-9.5) 1.26 6.64 -101.89 4 3 2 35 253.434 5
Mid Mid (pH 6-8) 1.26 6.76 -88.07 4 3 2 35 253.434 5
Mid Mid (pH 6-8) 1.26 4.28 -46.65 3 3 1 34 252.426 5

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

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