UCSF

ZINC00443826

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 25 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) 2.23 0.68 -14.38 1 5 0 66 337.375 5
Mid Mid (pH 6-8) 2.23 0.23 -25.18 1 5 0 66 337.375 4
Mid Mid (pH 6-8) 1.65 0.45 -25.35 0 5 0 63 337.375 5

Activity (Go SEA)

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