UCSF

ZINC49043738

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 18 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) 2.22 5.85 -14.79 1 4 0 55 269.276 3
Mid Mid (pH 6-8) 2.29 5.08 -46.93 0 4 -1 61 268.268 3

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