UCSF

ZINC14186281

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2008 34 No

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Annotations

None

Vendors

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) 3.85 4.06 -20.53 2 11 0 157 507.546 9
Hi High (pH 8-9.5) 3.85 4.16 -44.89 1 11 -1 159 506.538 9
Hi High (pH 8-9.5) 3.85 4.14 -56.84 1 11 -1 159 506.538 9
Hi High (pH 8-9.5) 3.85 4.25 -103.19 0 11 -2 161 505.53 9

Activity (Go SEA)

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