UCSF

ZINC48721659

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 16 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) -0.40 0.89 -8.13 2 6 0 74 222.248 3
Lo Low (pH 4.5-6) -0.40 1.25 -31.44 3 6 1 76 223.256 3

Activity (Go SEA)

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