UCSF

ZINC39917561

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 28 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) 4.85 12.45 -46.85 1 4 1 26 418.392 6
Hi High (pH 8-9.5) 4.85 10.08 -11.81 0 4 0 24 417.384 6
Mid Mid (pH 6-8) 4.85 12.34 -53.1 1 4 1 26 418.392 6
Lo Low (pH 4.5-6) 4.85 12.71 -84.89 2 4 2 27 419.4 6

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