UCSF

ZINC38653409

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 31 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) 6.11 12.92 -11.62 2 5 0 71 429.907 4
Ref Reference (pH 7) 7.84 12.17 -15.82 2 5 0 74 429.907 4
Hi High (pH 8-9.5) 7.84 13.18 -62.73 1 5 -1 77 428.899 4

Activity (Go SEA)

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