UCSF

ZINC77980164

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2012 28 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) 2.74 9.22 -17.08 0 6 0 68 377.444 5
Lo Low (pH 4.5-6) 2.74 9.68 -46.23 1 6 1 70 378.452 5

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

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