UCSF

ZINC34891245

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 24 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) -4.71 -8.34 -461.94 4 15 -5 275 415.053 6
Ref Reference (pH 7) -4.71 -8.33 -480.46 4 15 -5 275 415.053 6
Mid Mid (pH 6-8) -4.71 -8.37 -480.25 4 15 -5 275 415.053 6
Mid Mid (pH 6-8) -4.71 -8.34 -447.37 4 15 -5 275 415.053 6
Mid Mid (pH 6-8) -4.71 -7.19 -625.77 3 15 -6 278 414.045 6
Mid Mid (pH 6-8) -4.71 -8.33 -462.98 4 15 -5 275 415.053 6
Lo Low (pH 4.5-6) -4.71 -10.66 -188.78 6 15 -3 269 417.069 6
Lo Low (pH 4.5-6) -4.71 -10.62 -189.31 6 15 -3 269 417.069 6

Activity (Go SEA)

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