UCSF

ZINC43413674

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 1.07 4.97 -65.17 3 5 0 86 286.397 5
Mid Mid (pH 6-8) 1.07 3.59 -42.44 2 5 -1 81 285.389 5
Lo Low (pH 4.5-6) 1.07 2.98 -46.33 4 5 1 83 287.405 5

Activity (Go SEA)

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