UCSF

ZINC38718520

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.92 9.59 -19.13 1 5 0 64 413.568 5
Hi High (pH 8-9.5) 4.92 9.72 -60.16 0 5 -1 66 412.56 5
Lo Low (pH 4.5-6) 4.92 10.03 -37.88 2 5 1 65 414.576 5

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