UCSF

ZINC09282318

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 35 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) 3.04 11.45 -56.77 2 7 1 84 472.565 10
Mid Mid (pH 6-8) 2.46 0.47 -65.82 1 7 1 81 472.565 10
Lo Low (pH 4.5-6) 2.46 0.58 -121.22 2 7 2 82 473.573 10
Lo Low (pH 4.5-6) 3.49 11.4 -121.87 3 7 2 85 473.573 9

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