UCSF

ZINC39943306

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 27 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) 3.88 7.61 -37.95 1 5 0 72 416.289 2
Lo Low (pH 4.5-6) 3.42 9.26 -38.72 2 5 1 69 417.297 2

Activity (Go SEA)

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