UCSF

ZINC32220927

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 17 No

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Annotations

Vendors

    None

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) 1.07 3.46 -52.33 1 6 -1 104 237.187 4
Hi High (pH 8-9.5) 1.07 3.99 -118.87 0 6 -2 107 236.179 4
Mid Mid (pH 6-8) 1.07 2.09 -15.74 2 6 0 101 238.195 4

Activity (Go SEA)

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