UCSF

ZINC49512166

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 26 No

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Annotations

None

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) 0.77 5.3 -49.6 3 7 1 79 354.434 6
Hi High (pH 8-9.5) 0.96 2.24 -47.81 1 7 -1 84 352.418 6
Mid Mid (pH 6-8) 0.77 3.09 -8.87 2 7 0 78 353.426 6

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