UCSF

ZINC25557608

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 16 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) -2.16 4.38 -215.62 1 8 -3 158 229.12 4
Hi High (pH 8-9.5) -2.16 5.99 -332.63 0 8 -4 161 228.112 4
Lo Low (pH 4.5-6) -2.16 -0.05 -111.57 2 8 -2 155 230.128 4

Activity (Go SEA)

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