UCSF

ZINC49067911

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 19 Yes

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) 3.33 6.42 -40.37 3 4 1 59 284.449 6
Mid Mid (pH 6-8) 3.15 5.2 -31.35 2 4 0 65 283.441 6

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