UCSF

ZINC12481363

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 23 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) 1.67 10.87 -74 1 5 0 65 318.417 7
Lo Low (pH 4.5-6) 1.67 8.89 -49.49 2 5 1 62 319.425 7

Activity (Go SEA)

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