UCSF

ZINC40233873

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 21 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) 2.53 5.96 -58.71 4 4 1 70 314.415 2
Hi High (pH 8-9.5) 2.60 3.7 -47.37 2 4 -1 74 312.399 2
Mid Mid (pH 6-8) 2.53 5.55 -10.55 3 4 0 68 313.407 2

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

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