UCSF

ZINC19015700

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2008 22 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) 2.31 4.74 -12.01 1 6 0 75 325.434 5
Mid Mid (pH 6-8) 2.76 2.82 -45.06 0 6 -1 78 324.426 5

Activity (Go SEA)

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