UCSF

ZINC05343639

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 31 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) 2.31 -1.43 -14.28 0 7 0 81 415.449 6
Mid Mid (pH 6-8) 2.31 -0.47 -45.4 1 7 1 82 416.457 6

Activity (Go SEA)

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