UCSF

ZINC31973209

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 4.55 11.09 -52.92 0 4 -1 57 325.775 4
Lo Low (pH 4.5-6) 4.55 11.51 -58.32 1 4 0 59 326.783 4

Activity (Go SEA)

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