UCSF

ZINC21954002

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 26 No

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Annotations

None

Vendors

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) 4.72 11.85 -20.67 1 4 0 55 401.582 8
Hi High (pH 8-9.5) 4.90 10.79 -44.66 0 4 -1 61 400.574 8

Activity (Go SEA)

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