UCSF

ZINC59443277

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2011 21 No

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Annotations

Vendors

    None

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) 0.22 -1.41 -12.87 2 8 0 94 294.311 4
Lo Low (pH 4.5-6) 0.22 0.89 -49.93 3 8 1 95 295.319 4

Activity (Go SEA)

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