UCSF

ZINC33979274

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 35 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) -4.89 -6.59 -143.18 5 18 -2 279 546.271 8
Hi High (pH 8-9.5) -4.89 -7.76 -222.2 4 18 -3 282 545.263 8
Hi High (pH 8-9.5) -4.89 -5.81 -214.35 4 18 -3 282 545.263 8

Activity (Go SEA)

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