UCSF

ZINC08740342

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 24 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) 3.45 8.59 -24.05 1 4 0 51 323.392 5
Lo Low (pH 4.5-6) 4.75 6.77 -34.58 2 4 1 53 324.4 5

Activity (Go SEA)

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