UCSF

ZINC44477714

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 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) -0.04 -1.6 -12.74 1 5 0 67 263.359 1
Lo Low (pH 4.5-6) -0.04 0.22 -48.59 2 5 1 68 264.367 1

Activity (Go SEA)

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