UCSF

ZINC34857916

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 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) -1.57 12.4 -80.44 4 9 2 111 473.581 6
Hi High (pH 8-9.5) -1.50 11.4 -51.18 3 9 1 117 472.573 6
Lo Low (pH 4.5-6) -1.57 12.87 -148.05 5 9 3 112 474.589 6

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