UCSF

ZINC49793907

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 51 No

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Annotations

Vendors

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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) 7.40 20.51 -110.28 3 5 2 31 684.029 14
Hi High (pH 8-9.5) 7.40 19.15 -41.46 2 5 1 26 683.021 14
Mid Mid (pH 6-8) 7.40 22.21 -195.21 4 5 3 32 685.037 14

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