UCSF

ZINC62038732

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 31 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) 4.80 6.58 -19.56 3 7 0 112 451.529 6
Hi High (pH 8-9.5) 5.26 5.12 -49.36 2 7 -1 115 450.521 6
Hi High (pH 8-9.5) 5.26 5.88 -94.83 1 7 -2 118 449.513 6

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

No pre-computed analogs available. Try a structural similarity search.