UCSF

ZINC86864971

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 8 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) -1.30 -2.11 -35.45 7 5 0 101 136.18 2
Hi High (pH 8-9.5) -1.30 -3.02 -49.36 6 5 -1 100 135.172 2
Lo Low (pH 4.5-6) -1.30 -3.55 -4.93 6 5 0 100 136.18 2

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

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