UCSF

ZINC05200903

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 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) 2.20 -1.78 -50.07 1 7 1 72 422.505 7
Mid Mid (pH 6-8) 2.20 -0.83 -120.49 2 7 2 74 423.513 7

Activity (Go SEA)

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