UCSF

ZINC62038964

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 32 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) 4.58 6.31 -23.79 3 9 0 141 472.479 6
Hi High (pH 8-9.5) 5.04 5.84 -88.22 1 9 -2 147 470.463 6
Mid Mid (pH 6-8) 4.58 7.08 -45.13 2 9 -1 144 471.471 6

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