UCSF

ZINC48871865

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 16 No

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Annotations

Vendors

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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) -0.48 0.66 -52.54 4 6 1 90 243.312 5
Hi High (pH 8-9.5) 0.08 -2.26 -17.74 3 6 0 92 242.304 4
Mid Mid (pH 6-8) -0.66 0.05 -43.38 3 6 0 96 242.304 5

Activity (Go SEA)

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