UCSF

ZINC38597286

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 23 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) 1.65 2.11 -46.42 0 6 -1 87 308.317 3
Lo Low (pH 4.5-6) 1.65 3.11 -50.25 1 6 0 89 309.325 3

Activity (Go SEA)

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