UCSF

ZINC62977267

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 36 No

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Annotations

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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) 4.22 9 -50.31 1 7 0 60 492.64 8
Mid Mid (pH 6-8) 4.22 11.27 -131.03 2 7 0 61 493.648 8
Mid Mid (pH 6-8) 4.22 8.9 -10.61 0 7 0 58 491.632 8
Lo Low (pH 4.5-6) 4.22 14.16 -254.88 3 7 0 62 494.656 8

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

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