UCSF

ZINC60164585

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 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) 8.90 18.01 -37.63 1 3 1 31 384.669 21
Hi High (pH 8-9.5) 8.90 16.07 -3.44 0 3 0 30 383.661 21

Activity (Go SEA)

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