UCSF

ZINC31821032

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 24 No

Popular Name: (2S,8R,9S,10R,13S,14S,17S)-4,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecah (2S,8R,9S,10R,13S,14S,17S)-4,17-…

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Annotations

Vendors

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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) 2.80 5.2 -11.07 2 4 0 81 329.44 0 ↓
Mid Mid (pH 6-8) 2.80 5.22 -10.22 2 4 0 81 329.44 0 ↓
Mid Mid (pH 6-8) 2.80 6 -51.6 1 4 -1 84 328.432 0 ↓

Activity (Go SEA)

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