UCSF

ZINC04550816

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 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) 0.23 -5.24 -21.69 5 9 0 148 375.392 4
Lo Low (pH 4.5-6) 0.23 0.66 -70.08 6 9 1 150 376.4 4

Activity (Go SEA)

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