UCSF

ZINC24830035

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2009 23 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) 5.19 6.83 -20.45 2 4 0 62 344.823 3
Hi High (pH 8-9.5) 5.19 7.2 -95.85 0 4 -2 67 342.807 3
Mid Mid (pH 6-8) 5.19 6.41 -48.07 1 4 -1 64 343.815 3

Activity (Go SEA)

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