UCSF

ZINC06267004

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 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) 3.92 13.5 -60.34 2 4 1 29 384.569 7
Hi High (pH 8-9.5) 3.92 11.1 -11.9 1 4 0 28 383.561 7

Activity (Go SEA)

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