UCSF

ZINC40111240

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 36 No

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Annotations

Vendors

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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) 4.07 9.26 -58.62 0 8 -1 107 511.62 9
Lo Low (pH 4.5-6) 4.07 8.37 -15.68 1 8 0 104 512.628 9

Activity (Go SEA)

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