UCSF

ZINC38592166

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 24 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) 1.11 0.44 -45.42 0 7 -1 97 324.316 4
Lo Low (pH 4.5-6) 0.65 3.02 -9.11 1 7 0 94 325.324 4
Lo Low (pH 4.5-6) 0.65 4.01 -43.7 2 7 1 95 326.332 4
Lo Low (pH 4.5-6) 1.11 1.59 -56.29 1 7 0 98 325.324 4

Activity (Go SEA)

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