UCSF

ZINC42136937

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 18 Yes

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) 2.29 6.99 -59.59 1 5 -1 69 244.274 4
Mid Mid (pH 6-8) 2.29 7.83 -34.5 2 5 0 74 245.282 4
Mid Mid (pH 6-8) 2.29 7.44 -47.37 2 5 0 71 245.282 4
Lo Low (pH 4.5-6) 2.29 8.05 -66.99 3 5 1 75 246.29 4

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

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