UCSF

ZINC37202115

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 No

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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) 2.27 6 -41.47 2 3 1 33 257.423 9
Hi High (pH 8-9.5) 2.27 4.62 -4.23 1 3 0 28 256.415 9
Mid Mid (pH 6-8) 2.27 8.11 -115.46 3 3 2 34 258.431 9
Mid Mid (pH 6-8) 2.27 6.73 -35.23 2 3 1 30 257.423 9

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Rings

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