UCSF

ZINC12008232

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 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) 2.91 10.97 -42.98 2 11 0 152 434.412 5
Mid Mid (pH 6-8) 2.91 11.94 -21.58 2 11 0 152 434.412 5
Mid Mid (pH 6-8) 3.36 10.65 -57.82 1 11 -1 155 433.404 5

Activity (Go SEA)

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