UCSF

ZINC04296255

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 37 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) 5.72 11.37 -15.94 2 9 0 115 544.391 11
Hi High (pH 8-9.5) 5.90 10.58 -50.11 1 9 -1 122 543.383 11

Activity (Go SEA)

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