UCSF

ZINC41228481

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 28 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) 2.19 8.21 -18.45 1 6 0 81 371.396 5
Lo Low (pH 4.5-6) 2.19 8.66 -50.9 2 6 1 82 372.404 5

Activity (Go SEA)

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