UCSF

ZINC33923930

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 30 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) 4.57 16.82 -12.49 2 10 0 124 471.319 8
Lo Low (pH 4.5-6) 4.57 17.19 -37.19 3 10 1 125 472.327 8
Lo Low (pH 4.5-6) 4.57 17.11 -39.33 3 10 1 125 472.327 8

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