UCSF

ZINC52382979

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) 1.60 4.5 -44.96 3 3 1 44 263.386 3
Hi High (pH 8-9.5) 1.60 4.1 -6.58 2 3 0 42 262.378 3
Mid Mid (pH 6-8) 1.60 6.7 -99.55 4 3 2 45 264.394 3

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

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