UCSF

ZINC40176693

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 24 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) 1.17 0.23 -21.02 2 9 0 122 370.412 4
Hi High (pH 8-9.5) 0.69 -1.38 -120.16 0 9 -2 131 368.396 4
Mid Mid (pH 6-8) 1.17 1.24 -58.66 1 9 -1 125 369.404 4

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