UCSF

ZINC34527835

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 23 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) 0.77 0.27 -102.81 7 5 2 69 327.561 1
Hi High (pH 8-9.5) 0.77 0.3 -103.48 7 5 2 69 327.561 1
Hi High (pH 8-9.5) 0.77 -0.93 -38.63 6 5 1 65 326.553 1
Mid Mid (pH 6-8) 0.77 0.41 -95.48 7 5 2 69 327.561 1
Mid Mid (pH 6-8) 0.77 1.47 -195.86 8 5 3 74 328.569 1
Mid Mid (pH 6-8) 0.77 1.69 -204.89 8 5 3 74 328.569 1
Lo Low (pH 4.5-6) 0.77 1.55 -223.26 8 5 3 74 328.569 1

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