UCSF

ZINC59214923

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 18 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) 3.67 8.23 -45.63 1 4 -1 69 256.366 12
Lo Low (pH 4.5-6) 3.67 6.25 -10.19 2 4 0 66 257.374 12

Activity (Go SEA)

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