UCSF

ZINC39764029

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 23 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) 0.93 0.96 -17.14 2 8 0 101 336.373 6
Mid Mid (pH 6-8) 1.12 -0.95 -46.85 1 8 -1 108 335.365 6

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

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