UCSF

ZINC59117605

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2011 24 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) 4.25 8.35 -10.31 1 4 0 62 328.318 5
Hi High (pH 8-9.5) 4.44 6.88 -44.95 0 4 -1 68 327.31 5

Activity (Go SEA)

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