UCSF

ZINC40147264

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 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) 6.93 14.56 -14.78 1 4 0 66 497.929 6
Mid Mid (pH 6-8) 7.11 13.09 -46.86 0 4 -1 72 496.921 6

Activity (Go SEA)

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