UCSF

ZINC19868809

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 32 No

CAS Number: no cas

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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) -0.87 0.35 -130.29 6 10 -1 188 443.432 2
Mid Mid (pH 6-8) -1.46 0.35 -97.68 6 10 0 182 444.44 2
Mid Mid (pH 6-8) -1.46 0.85 -119.57 5 10 -1 185 443.432 2
Mid Mid (pH 6-8) -1.46 1.09 -161.21 5 10 -1 185 443.432 2

Activity (Go SEA)

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