UCSF

ZINC22932682

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 27 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) 3.74 11.14 -41.54 1 4 1 26 381.931 5
Mid Mid (pH 6-8) 3.74 11.17 -40.83 1 4 1 26 381.931 5
Mid Mid (pH 6-8) 3.74 8.92 -8.92 0 4 0 24 380.923 5

Activity (Go SEA)

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