UCSF

ZINC38907773

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 33 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) 4.28 12.73 -14.49 0 5 0 41 438.575 5
Mid Mid (pH 6-8) 4.28 14.89 -51.65 1 5 1 43 439.583 5
Mid Mid (pH 6-8) 4.28 14.75 -38.53 1 5 1 43 439.583 5
Lo Low (pH 4.5-6) 4.28 15.57 -126.96 2 5 2 44 440.591 5

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