UCSF

ZINC71572073

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 15 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) 1.85 3.95 -15.43 1 4 0 51 200.197 1
Hi High (pH 8-9.5) 1.85 4.68 -53.4 0 4 -1 54 199.189 1
Mid Mid (pH 6-8) 1.85 4.38 -28.9 2 4 1 52 201.205 1

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

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