UCSF

ZINC86864976

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 18 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) -1.98 -3.8 -49.48 3 8 -1 120 277.278 7
Lo Low (pH 4.5-6) -1.98 -3.18 -57.73 4 8 0 125 278.286 7

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

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