UCSF

ZINC09235633

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 33 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) 4.26 10.62 -60.63 0 6 -1 83 482.343 6
Lo Low (pH 4.5-6) 4.26 9.66 -17.53 1 6 0 80 483.351 6

Activity (Go SEA)

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