UCSF

ZINC33695213

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 32 No

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) 6.60 15.28 -29.83 2 5 1 57 457.038 10
Mid Mid (pH 6-8) 6.60 14.86 -20.59 1 5 0 56 456.03 10
Mid Mid (pH 6-8) 6.60 15.3 -50.05 2 5 1 60 457.038 10
Lo Low (pH 4.5-6) 6.60 15.72 -100.97 3 5 2 61 458.046 10

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