UCSF

ZINC39755940

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 34 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) 5.06 9.57 -23.29 1 10 0 140 456.414 8
Hi High (pH 8-9.5) 5.25 6.62 -54.63 0 10 -1 146 455.406 8

Activity (Go SEA)

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