UCSF

ZINC48757549

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 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) -0.60 2.57 -7.18 1 6 0 66 236.275 3
Lo Low (pH 4.5-6) -0.60 2.94 -31.46 2 6 1 67 237.283 3

Activity (Go SEA)

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