UCSF

ZINC39917542

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) 4.97 14.87 -43.8 1 5 1 35 447.647 12
Hi High (pH 8-9.5) 4.97 12.5 -11.31 0 5 0 34 446.639 12
Mid Mid (pH 6-8) 4.97 14.75 -47.23 1 5 1 35 447.647 12
Lo Low (pH 4.5-6) 4.97 15.17 -80.65 2 5 2 36 448.655 12

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