UCSF

ZINC05126237

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2006 29 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) 2.32 9.45 -52.01 2 6 1 75 394.495 8
Mid Mid (pH 6-8) 1.74 10.16 -61.36 1 6 1 72 394.495 8
Lo Low (pH 4.5-6) 2.32 9.73 -104.86 3 6 2 76 395.503 8
Lo Low (pH 4.5-6) 1.74 10.44 -119.98 2 6 2 73 395.503 8

Activity (Go SEA)

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