UCSF

ZINC44125041

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 12 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) 2.41 3.78 -2.47 2 2 0 29 205.088 2
Mid Mid (pH 6-8) 2.41 3.62 -33.55 3 2 1 31 206.096 2
Lo Low (pH 4.5-6) 2.41 5.34 -37.75 3 2 1 30 206.096 2

Activity (Go SEA)

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