UCSF

ZINC34691930

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 30 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) 2.52 9.9 -52.73 1 5 1 37 418.508 8
Lo Low (pH 4.5-6) 2.52 12.17 -110.54 2 5 2 38 419.516 8

Activity (Go SEA)

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