UCSF

ZINC19432723

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 21 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -3.76 -1.1 -61.34 3 9 -1 144 291.243 5
Mid Mid (pH 6-8) -3.76 -0.63 -78.24 4 9 0 145 292.251 5
Mid Mid (pH 6-8) -3.76 1.86 -55.03 3 9 -1 144 291.243 5

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

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