UCSF

ZINC96023560

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2014 33 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) -3.70 -6.84 -271.61 15 12 4 212 479.619 8
Hi High (pH 8-9.5) -3.70 -8.85 -34.74 12 12 1 204 476.595 8
Hi High (pH 8-9.5) -3.70 -10.04 -6.85 11 12 0 200 475.587 8
Hi High (pH 8-9.5) -3.70 -9.66 -51.2 12 12 1 201 476.595 8
Mid Mid (pH 6-8) -3.70 -7.67 -405.48 16 12 5 214 480.627 8
Mid Mid (pH 6-8) -3.70 -8.1 -295.01 15 12 4 212 479.619 8

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

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