UCSF

ZINC39917565

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 30 Yes

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Vendors

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) 5.42 14.08 -42.6 1 4 1 26 405.61 8
Hi High (pH 8-9.5) 5.42 11.71 -9.51 0 4 0 24 404.602 8
Mid Mid (pH 6-8) 5.42 13.96 -46.81 1 4 1 26 405.61 8
Lo Low (pH 4.5-6) 5.42 14.34 -78.19 2 4 2 27 406.618 8

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