UCSF

ZINC60227049

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 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) 3.15 8.49 -22.18 1 8 0 103 348.355 7
Mid Mid (pH 6-8) 3.29 6.95 -15.03 0 8 0 103 348.355 7
Mid Mid (pH 6-8) 3.11 7.69 -11.36 0 8 0 103 348.355 7
Lo Low (pH 4.5-6) 3.11 8.04 -16.33 1 8 0 105 349.363 7

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