UCSF

ZINC72188907

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2012 38 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) 4.72 11.82 -16.64 1 10 0 140 522.554 8
Hi High (pH 8-9.5) 4.72 12.88 -56.83 0 10 -1 143 521.546 8
Mid Mid (pH 6-8) 4.90 11.09 -14.35 1 10 0 140 522.554 8
Mid Mid (pH 6-8) 4.88 11.85 -14.19 1 10 0 140 522.554 8
Mid Mid (pH 6-8) 4.72 11.51 -16.22 1 10 0 140 522.554 8

Activity (Go SEA)

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