UCSF

ZINC43401269

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) -1.61 1.78 -54.73 4 5 1 85 253.351 2
Mid Mid (pH 6-8) -1.61 2.74 -15.89 3 5 0 83 252.343 2
Lo Low (pH 4.5-6) -1.61 2.19 -109.64 5 5 2 86 254.359 2

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