UCSF

ZINC31720347

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 29 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) 2.46 5.65 -50.02 1 10 -1 145 420.423 6
Lo Low (pH 4.5-6) 2.46 4.69 -18.07 2 10 0 142 421.431 6

Activity (Go SEA)

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