UCSF

ZINC20533437

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 27 No

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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) 3.22 8.26 -26.83 1 5 0 61 364.445 3
Hi High (pH 8-9.5) 3.22 5.86 -42.54 0 5 -1 60 363.437 3
Hi High (pH 8-9.5) 3.22 8.32 -51.93 1 5 0 61 364.445 3
Mid Mid (pH 6-8) 3.22 7.7 -43.49 2 5 1 58 365.453 3
Mid Mid (pH 6-8) 3.22 5.19 -7.68 1 5 0 57 364.445 3
Lo Low (pH 4.5-6) 3.22 7.64 -50.54 2 5 1 58 365.453 3

Activity (Go SEA)

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