UCSF

ZINC05495526

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 28 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) 1.59 5.54 -19.29 3 7 0 100 396.472 6
Hi High (pH 8-9.5) 0.69 4.3 -50.63 2 7 -1 102 395.464 6

Activity (Go SEA)

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