UCSF

ZINC38580999

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 29 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) 0.92 4.29 -55.62 4 12 -1 170 427.378 7
Lo Low (pH 4.5-6) 0.92 4.75 -67.36 5 12 0 171 428.386 7

Activity (Go SEA)

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