UCSF

ZINC08659459

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2007 11 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) -0.54 -2.51 -11.8 4 6 0 100 151.129 0
Hi High (pH 8-9.5) -0.08 -4.59 -43.56 3 6 -1 104 150.121 0
Mid Mid (pH 6-8) -0.54 -2.58 -11.16 4 6 0 100 151.129 0

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

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