UCSF

ZINC10020890

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2007 27 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) 5.52 -0.54 -11.28 0 4 0 46 434.373 4
Lo Low (pH 4.5-6) 5.52 -0.42 -45.62 1 4 1 47 435.381 4

Activity (Go SEA)

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