UCSF

ZINC39557388

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 21 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) 3.30 9.3 -47.47 0 4 -1 62 286.282 5
Lo Low (pH 4.5-6) 3.30 9.66 -68.6 1 4 0 63 287.29 5

Activity (Go SEA)

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