UCSF

ZINC33795793

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 32 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) 4.78 12.17 -13.84 1 4 0 28 489.966 10
Mid Mid (pH 6-8) 4.78 14.43 -47.74 2 4 1 29 490.974 10

Activity (Go SEA)

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