UCSF

ZINC08934829

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2007 31 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) 3.91 -2.11 -8.27 0 5 0 64 455.601 6
Mid Mid (pH 6-8) 4.09 -1.9 -9.06 0 5 0 64 455.601 6
Mid Mid (pH 6-8) 4.09 -0.87 -8.69 0 5 0 64 455.601 6
Mid Mid (pH 6-8) 3.91 -1.99 -10.84 0 5 0 64 455.601 6

Activity (Go SEA)

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