UCSF

ZINC65505764

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 28 No

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) -1.05 1.4 -106.69 6 11 2 138 393.448 6
Hi High (pH 8-9.5) -1.05 1.21 -15.11 4 11 0 132 391.432 6
Mid Mid (pH 6-8) -1.05 1.69 -46.82 5 11 1 136 392.44 6

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

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