UCSF

ZINC04754587

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 27 No

Download: MOL2 SDF SMILES Flexibase

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) 2.61 4.78 -18.07 0 7 0 86 381.413 5
Ref Reference (pH 7) 2.61 4.77 -18.09 0 7 0 86 381.413 5
Ref Reference (pH 7) 4.11 0.91 -12.85 2 7 0 94 381.413 5
Hi High (pH 8-9.5) 4.11 1.69 -49.36 1 7 -1 96 380.405 5
Hi High (pH 8-9.5) 4.11 1.69 -58.57 1 7 -1 96 380.405 5

Activity (Go SEA)

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