UCSF

ZINC59267477

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2011 21 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) 3.73 9.39 -84.32 4 4 2 48 292.471 8
Mid Mid (pH 6-8) 3.73 7.18 -29.59 3 4 1 47 291.463 8

Activity (Go SEA)

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