UCSF

ZINC43221162

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 38 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.12 11.95 -56.44 2 11 -1 165 516.486 7
Mid Mid (pH 6-8) 1.12 10.57 -44.65 3 11 0 169 517.494 7
Mid Mid (pH 6-8) 1.12 12.37 -54.61 3 11 0 169 517.494 7

Activity (Go SEA)

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