UCSF

ZINC08463257

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2006 27 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) 3.82 7.89 -17.64 1 5 0 76 387.863 3
Hi High (pH 8-9.5) 3.98 7.08 -10.05 1 5 0 76 387.863 3
Mid Mid (pH 6-8) 3.98 7.03 -12.31 1 5 0 76 387.863 3

Activity (Go SEA)

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