UCSF

ZINC59090985

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 35 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) 6.79 16.37 -73.69 1 5 0 65 541.53 13
Lo Low (pH 4.5-6) 6.79 15.63 -51.54 2 5 1 62 542.538 13

Activity (Go SEA)

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