UCSF

ZINC40291306

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 17 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) 2.04 6.05 -12.66 2 4 0 55 250.371 4
Lo Low (pH 4.5-6) 2.04 6.21 -31.76 3 4 1 56 251.379 4

Activity (Go SEA)

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