UCSF

ZINC04065311

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 32 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) 4.31 -1.68 -10.49 1 6 0 85 433.504 7
Mid Mid (pH 6-8) 4.31 -1.65 -12.7 1 6 0 85 433.504 7
Mid Mid (pH 6-8) 4.49 -0.46 -11.04 1 6 0 85 433.504 7
Mid Mid (pH 6-8) 4.49 -1.53 -11.09 1 6 0 85 433.504 7

Activity (Go SEA)

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