UCSF

ZINC41539411

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 27 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) -0.05 4.42 -58.81 0 8 -1 100 369.401 6
Lo Low (pH 4.5-6) -0.05 3.66 -15.21 1 8 0 98 370.409 6

Activity (Go SEA)

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