UCSF

ZINC35270722

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 26 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) -3.54 -0.21 -264.17 2 14 -3 215 409.164 6
Hi High (pH 8-9.5) -3.08 -2.28 -326.66 1 14 -4 218 408.156 6
Mid Mid (pH 6-8) -3.54 -1.37 -143.47 3 14 -2 212 410.172 6

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