UCSF

ZINC54845221

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 25 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) 2.99 8.54 -53.9 1 7 -1 82 374.471 5
Lo Low (pH 4.5-6) 2.26 8.46 -21.47 2 7 0 85 375.479 5

Activity (Go SEA)

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