UCSF

ZINC31995318

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 Yes

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) 1.38 9.23 -44.72 2 4 1 38 311.453 3
Hi High (pH 8-9.5) 1.38 9.69 -48.08 2 4 1 34 311.453 3
Lo Low (pH 4.5-6) 1.38 11.34 -168.03 4 4 3 40 313.469 3

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