UCSF

ZINC39765492

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 34 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) 4.64 9.13 -24.2 2 10 0 147 495.542 7
Hi High (pH 8-9.5) 4.71 6.94 -102.88 0 10 -2 155 493.526 7
Hi High (pH 8-9.5) 4.71 6.8 -47.11 1 10 -1 153 494.534 7
Mid Mid (pH 6-8) 4.64 9.27 -54.82 1 10 -1 149 494.534 7

Activity (Go SEA)

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