UCSF

ZINC12449096

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 27 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) 4.60 13.28 -33.43 2 3 1 33 354.477 3
Lo Low (pH 4.5-6) 4.60 13.47 -110.78 3 3 2 34 355.485 3

Activity (Go SEA)

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