UCSF

ZINC31541196

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 23 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) -1.92 -5.04 -148.53 5 10 -2 178 349.232 5
Mid Mid (pH 6-8) -1.92 -6.19 -53.75 6 10 -1 175 350.24 5
Lo Low (pH 4.5-6) -1.92 -6.33 -75.53 7 10 0 176 351.248 5

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