UCSF

ZINC00708108

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 30 No

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Annotations

None

Vendors

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) 4.09 0.34 -10.75 0 5 0 68 402.494 5
Mid Mid (pH 6-8) 4.09 0.12 -12.58 0 5 0 68 402.494 5
Mid Mid (pH 6-8) 4.27 1.68 -14.74 0 5 0 68 402.494 5
Mid Mid (pH 6-8) 4.27 0.35 -10.83 0 5 0 68 402.494 5
Lo Low (pH 4.5-6) 4.09 0.3 -33.79 1 5 1 69 403.502 5
Lo Low (pH 4.5-6) 4.27 1.86 -31.78 1 5 1 69 403.502 5
Lo Low (pH 4.5-6) 4.09 1.67 -31.55 1 5 1 69 403.502 5
Lo Low (pH 4.5-6) 4.27 0.52 -33.96 1 5 1 69 403.502 5

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