UCSF

ZINC13583255

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 34 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) 3.49 5.56 -28.36 4 10 0 149 460.494 9
Hi High (pH 8-9.5) 3.95 3.93 -56.58 3 10 -1 152 459.486 9
Hi High (pH 8-9.5) 3.95 3.66 -68.57 3 10 -1 152 459.486 9
Hi High (pH 8-9.5) 3.95 3.8 -62.01 3 10 -1 152 459.486 9
Hi High (pH 8-9.5) 3.95 3.54 -73.24 3 10 -1 152 459.486 9

Activity (Go SEA)

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