UCSF

ZINC27565574

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 22 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 2.10 7.07 -46.21 2 5 1 54 345.25 4
Hi High (pH 8-9.5) 1.91 6.02 -33.12 1 5 0 60 344.242 4
Hi High (pH 8-9.5) 2.10 4.98 -19.14 1 5 0 53 344.242 4

Activity (Go SEA)

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