UCSF

ZINC37824747

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.02 4.22 -37.08 2 5 1 59 282.389 6
Mid Mid (pH 6-8) 0.02 2.92 -6.86 1 5 0 54 281.381 6
Lo Low (pH 4.5-6) 0.02 4.72 -88.45 3 5 2 60 283.397 6

Activity (Go SEA)

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