UCSF

ZINC62038819

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 34 No

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Annotations

None

Vendors

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) 6.12 8.36 -19.9 3 7 0 112 493.61 7
Hi High (pH 8-9.5) 6.58 7.11 -48.23 2 7 -1 115 492.602 7
Hi High (pH 8-9.5) 6.58 7.88 -94.91 1 7 -2 118 491.594 7

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