UCSF

ZINC41473096

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 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) 2.93 4.04 -40.73 2 4 1 60 321.447 2
Hi High (pH 8-9.5) 2.93 3.65 -16.74 1 4 0 59 320.439 2

Activity (Go SEA)

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