UCSF

ZINC59091051

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 36 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) 6.42 15.01 -73.98 1 6 0 74 557.529 14
Lo Low (pH 4.5-6) 6.42 14.24 -53.25 2 6 1 71 558.537 14

Activity (Go SEA)

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