UCSF

ZINC22923035

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 3.29 7.73 -38.21 2 4 1 37 336.887 5
Mid Mid (pH 6-8) 3.29 7.82 -40 2 4 1 37 336.887 5
Mid Mid (pH 6-8) 3.29 5.54 -7.69 1 4 0 36 335.879 5

Activity (Go SEA)

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