UCSF

ZINC22041197

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 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) 4.21 11.83 -39.72 1 4 1 26 443.658 5
Mid Mid (pH 6-8) 4.21 9.56 -6.83 0 4 0 25 442.65 5
Mid Mid (pH 6-8) 4.21 11.05 -36.36 1 4 1 26 443.658 5

Activity (Go SEA)

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