UCSF

ZINC35517203

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) 5.40 10.74 -53.84 1 6 -1 98 403.439 4
Mid Mid (pH 6-8) 5.66 11.47 -97.52 0 6 -2 97 402.431 5
Mid Mid (pH 6-8) 5.86 8.77 -105.63 0 6 -2 102 402.431 4

Activity (Go SEA)

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