UCSF

ZINC38907767

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 32 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) 3.88 12.14 -13.81 0 5 0 41 424.548 5
Mid Mid (pH 6-8) 3.88 14.34 -51.59 1 5 1 43 425.556 5
Mid Mid (pH 6-8) 3.88 14.17 -37.37 1 5 1 43 425.556 5
Lo Low (pH 4.5-6) 3.88 15.02 -127.27 2 5 2 44 426.564 5

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