UCSF

ZINC41587583

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.25 7.69 -11.05 0 7 0 70 451.519 5
Mid Mid (pH 6-8) 4.25 10.68 -49.11 1 7 1 72 452.527 5

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