UCSF

ZINC39917616

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 34 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) 4.56 12.46 -14.06 0 6 0 49 463.622 13
Mid Mid (pH 6-8) 4.56 14.73 -50.15 1 6 1 50 464.63 13
Mid Mid (pH 6-8) 4.56 12.76 -35.54 1 6 1 50 464.63 13
Lo Low (pH 4.5-6) 4.56 15.02 -103.63 2 6 2 51 465.638 13

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