UCSF

ZINC34527821

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 19 No

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Annotations

Vendors

    None

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) 0.07 -0.16 -84.2 7 5 2 69 273.469 0
Hi High (pH 8-9.5) 0.07 -2.11 -0.11 5 5 0 60 271.453 0
Mid Mid (pH 6-8) 0.07 -0.33 -94.28 7 5 2 69 273.469 0
Mid Mid (pH 6-8) 0.07 -0.03 -92.25 7 5 2 69 273.469 0
Mid Mid (pH 6-8) 0.07 1.06 -84.43 7 5 2 69 273.469 0
Mid Mid (pH 6-8) 0.07 1.35 -202.36 8 5 3 74 274.477 0
Lo Low (pH 4.5-6) 0.07 2.33 -181.35 8 5 3 74 274.477 0
Lo Low (pH 4.5-6) 0.07 1.85 -186.18 8 5 3 74 274.477 0

Activity (Go SEA)

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