UCSF

ZINC37825885

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 No

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Annotations

None

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) -0.44 2.18 -42.78 2 6 1 66 274.366 4
Mid Mid (pH 6-8) -0.44 1.01 -14.35 1 6 0 62 273.358 4
Lo Low (pH 4.5-6) -0.44 4.32 -102.36 3 6 2 68 275.374 4

Activity (Go SEA)

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