UCSF

ZINC41663837

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 17 Yes

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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) 3.14 3.83 -44.92 4 3 1 60 365.089 4
Hi High (pH 8-9.5) 3.14 3.42 -7.65 3 3 0 55 364.081 4

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Rings

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