UCSF

ZINC31904148

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 5.47 11.81 -9.03 1 3 0 37 321.449 5
Lo Low (pH 4.5-6) 6.40 12.09 -8.52 1 3 0 41 321.449 4

Activity (Go SEA)

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