UCSF

ZINC41587235

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 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) 4.61 7.74 -8.89 0 6 0 55 448.563 5
Mid Mid (pH 6-8) 4.61 10 -47.86 1 6 1 56 449.571 5
Lo Low (pH 4.5-6) 4.61 10.6 -51.41 1 6 1 56 449.571 5

Activity (Go SEA)

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