UCSF

ZINC40177030

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 28 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) 3.07 8.97 -12.8 2 5 0 75 407.348 3
Hi High (pH 8-9.5) 4.44 6.22 -112.1 0 5 -2 84 405.332 3
Mid Mid (pH 6-8) 4.37 8.79 -49.14 1 5 -1 78 406.34 3

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