UCSF

ZINC34476272

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 28 No

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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) -4.70 1.9 -103 3 11 -1 156 403.456 8
Hi High (pH 8-9.5) -4.70 -0.44 -135.91 2 11 -2 155 402.448 8
Lo Low (pH 4.5-6) -4.70 2.05 -100.89 3 11 -1 156 403.456 8
Lo Low (pH 4.5-6) -4.70 0.07 -68.17 4 11 0 153 404.464 8

Activity (Go SEA)

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