UCSF

ZINC34996342

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 Yes

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) 4.14 10.02 -38.8 2 1 1 17 325.295 5
Hi High (pH 8-9.5) 4.14 8.79 -2.44 1 1 0 12 324.287 5

Activity (Go SEA)

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