UCSF

ZINC39121697

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 12 Yes

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Annotations

Vendors

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) 1.21 -0.98 -8.92 3 4 0 72 206.654 2
Mid Mid (pH 6-8) 1.21 -0.85 -38.56 2 4 -1 74 205.646 2

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