UCSF

ZINC22852461

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 30 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 7.9 -48.05 1 7 1 60 412.51 4
Mid Mid (pH 6-8) 1.67 7.98 -50.75 1 7 1 60 412.51 4
Mid Mid (pH 6-8) 1.67 5.66 -13.96 0 7 0 58 411.502 4

Activity (Go SEA)

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