UCSF

ZINC12008370

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 30 Yes

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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) 3.18 11.3 -34.54 2 8 0 106 403.442 6
Mid Mid (pH 6-8) 3.18 12.09 -14.81 2 8 0 106 403.442 6
Mid Mid (pH 6-8) 3.64 10.96 -53.87 1 8 -1 109 402.434 6

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

No pre-computed analogs available. Try a structural similarity search.