UCSF

ZINC37115840

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 25 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) 1.20 7.57 -15.85 2 6 0 80 354.435 5
Mid Mid (pH 6-8) 1.93 7.26 -45.53 1 6 -1 77 353.427 5
Lo Low (pH 4.5-6) 1.20 7.75 -42.06 3 6 1 81 355.443 5

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