UCSF

ZINC33788598

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 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) 4.33 8.7 -16.71 1 8 0 97 501.63 8
Hi High (pH 8-9.5) 4.33 8.77 -49.29 0 8 -1 99 500.622 8
Mid Mid (pH 6-8) 4.33 9.1 -40.19 2 8 1 99 502.638 8

Activity (Go SEA)

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