UCSF

ZINC05288976

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 24 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 3.36 3.31 -12.53 1 6 0 79 368.842 5
Hi High (pH 8-9.5) 3.36 4.04 -50.35 0 6 -1 82 367.834 5
Lo Low (pH 4.5-6) 3.36 3.76 -38.26 2 6 1 81 369.85 5

Activity (Go SEA)

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