UCSF

ZINC40111111

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) 1.46 1.89 -61.58 2 9 -1 138 485.538 7
Lo Low (pH 4.5-6) 1.46 1.13 -18.78 3 9 0 135 486.546 7

Activity (Go SEA)

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