UCSF

ZINC33764124

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 36 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) -0.12 14.81 -82.64 4 8 2 98 486.62 7
Hi High (pH 8-9.5) -0.12 12.52 -29.88 3 8 1 97 485.612 7

Activity (Go SEA)

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