UCSF

ZINC34476380

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 17 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) 1.46 0.77 -12.14 4 5 0 87 252.295 3
Hi High (pH 8-9.5) 1.46 1.5 -46.33 3 5 -1 90 251.287 3

Activity (Go SEA)

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