UCSF

ZINC40177043

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 26 Yes

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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) 4.35 7.73 -12.24 1 5 0 60 350.418 4
Mid Mid (pH 6-8) 4.35 8.04 -27.9 2 5 1 62 351.426 4
Lo Low (pH 4.5-6) 4.52 8.06 -26.8 2 5 1 65 351.426 3

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