UCSF

ZINC33919158

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 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) -0.14 5.7 -28.88 3 8 0 124 426.469 5
Mid Mid (pH 6-8) -0.14 4.52 -51.42 2 8 -1 119 425.461 5

Activity (Go SEA)

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