UCSF

ZINC25497864

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 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) 3.97 9.83 -56.16 3 10 -1 164 395.351 6
Hi High (pH 8-9.5) 4.43 8.25 -102.19 2 10 -2 167 394.343 6

Activity (Go SEA)

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