UCSF

ZINC33438025

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2009 36 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) 2.72 12.44 -50.76 1 6 -1 90 499.509 6
Mid Mid (pH 6-8) 2.72 14.4 -49.39 2 6 0 94 500.517 6
Lo Low (pH 4.5-6) 2.72 13.34 -41.05 2 6 0 94 500.517 6

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