UCSF

ZINC41954052

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 19 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) 1.30 3.44 -8.62 1 4 0 42 300.449 6
Lo Low (pH 4.5-6) 1.30 5.19 -42.21 2 4 1 43 301.457 6

Activity (Go SEA)

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