UCSF

ZINC42049589

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 27 No

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Annotations

None

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) 1.37 5.61 -15.31 2 7 0 91 364.405 4
Lo Low (pH 4.5-6) 1.37 6.07 -47.16 3 7 1 93 365.413 4

Activity (Go SEA)

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