UCSF

ZINC03592289

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 27 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) 3.64 8.27 -9.61 2 5 0 71 401.919 6
Hi High (pH 8-9.5) 3.64 7.27 -41.27 1 5 -1 73 400.911 7

Activity (Go SEA)

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