UCSF

ZINC40003843

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 37 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) 4.09 13.39 -68.73 1 8 0 91 502.615 11
Lo Low (pH 4.5-6) 4.09 12.59 -50.6 2 8 1 89 503.623 11

Activity (Go SEA)

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