UCSF

ZINC38204048

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2010 37 No

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Annotations

None

Vendors

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) 8.33 18.39 -16.35 0 7 0 93 509.587 5
Ref Reference (pH 7) 8.33 17.16 -16.74 0 7 0 93 509.587 5
Lo Low (pH 4.5-6) 8.33 18.94 -35.09 1 7 1 95 510.595 5
Lo Low (pH 4.5-6) 8.33 17.68 -36.49 1 7 1 95 510.595 5

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