UCSF

ZINC04729543

Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 2006 11 Yes

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Annotations

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) 0.98 2.06 -4.84 1 2 0 33 149.193 2
Lo Low (pH 4.5-6) 0.98 2.35 -31.77 2 2 1 34 150.201 2

Activity (Go SEA)

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