UCSF

ZINC39917585

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 33 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) 4.29 11.68 -15.14 0 6 0 49 449.595 12
Mid Mid (pH 6-8) 4.29 13.94 -52.67 1 6 1 50 450.603 12
Mid Mid (pH 6-8) 4.29 11.98 -36.33 1 6 1 50 450.603 12
Lo Low (pH 4.5-6) 4.29 14.25 -100.85 2 6 2 51 451.611 12

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