UCSF

ZINC14588256

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2008 25 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) 5.53 12.1 -42.8 0 4 -1 60 350.523 14
Mid Mid (pH 6-8) 4.95 12.31 -11.75 0 4 0 54 351.531 14

Activity (Go SEA)

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