UCSF

ZINC39917562

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 27 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) 4.22 12 -44.97 1 4 1 26 383.947 6
Hi High (pH 8-9.5) 4.22 9.62 -10.82 0 4 0 24 382.939 6
Mid Mid (pH 6-8) 4.22 11.88 -50.49 1 4 1 26 383.947 6
Lo Low (pH 4.5-6) 4.22 12.26 -82.08 2 4 2 27 384.955 6

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