UCSF

ZINC34401847

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 28 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) 5.45 9.31 -41.57 0 7 -1 103 417.85 6
Mid Mid (pH 6-8) 5.45 9.23 -12.09 1 7 0 101 418.858 6

Activity (Go SEA)

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