UCSF

ZINC38477627

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 22 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) 2.50 7.21 -45.05 0 5 -1 71 376.211 2
Lo Low (pH 4.5-6) 2.04 9.2 -10.61 1 5 0 68 377.219 2

Activity (Go SEA)

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