UCSF

ZINC40881486

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 30 Yes

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Annotations

Vendors

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) 5.93 13.27 -14.9 1 4 0 51 418.493 6
Hi High (pH 8-9.5) 6.12 10.73 -42.17 0 4 -1 58 417.485 6

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