UCSF

ZINC39886294

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 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) 2.33 7.44 -16.74 3 7 0 95 472.415 4
Mid Mid (pH 6-8) 2.37 7.14 -46.48 2 7 -1 95 471.407 4
Lo Low (pH 4.5-6) 1.55 6.99 -45.45 3 7 -1 95 471.407 5

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