UCSF

ZINC08666056

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2007 32 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) 1.27 6.43 -51.47 2 8 1 93 438.504 8
Mid Mid (pH 6-8) 0.68 7.09 -61.06 1 8 1 90 438.504 8
Lo Low (pH 4.5-6) 0.68 7.37 -126.43 2 8 2 91 439.512 8
Lo Low (pH 4.5-6) 1.27 6.71 -112.62 3 8 2 95 439.512 8

Activity (Go SEA)

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