UCSF

ZINC35517592

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 29 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) 5.45 10.39 -21.04 1 7 0 104 405.435 4
Mid Mid (pH 6-8) 5.71 11.09 -56.75 0 7 -1 103 404.427 5
Mid Mid (pH 6-8) 5.91 8.44 -68.6 0 7 -1 107 404.427 4
Lo Low (pH 4.5-6) 5.71 10.61 -59.72 0 7 -1 103 404.427 5

Activity (Go SEA)

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