UCSF

ZINC33916503

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 30 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) 0.06 4.22 -29.08 4 8 0 135 410.426 5
Hi High (pH 8-9.5) 0.06 3.11 -54.32 3 8 -1 130 409.418 5
Mid Mid (pH 6-8) 0.06 3.08 -51.27 3 8 -1 130 409.418 5

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