UCSF

ZINC33905731

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 34 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) 1.31 13.58 -49.44 2 7 0 103 460.53 9
Mid Mid (pH 6-8) 1.31 11.37 -47.48 1 7 -1 99 459.522 9
Mid Mid (pH 6-8) 1.31 12.58 -53.48 1 7 -1 99 459.522 9

Activity (Go SEA)

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