UCSF

ZINC22914677

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 29 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) 3.05 7.92 -34.7 3 6 1 77 416.929 8
Mid Mid (pH 6-8) 3.05 6.01 -12.64 2 6 0 76 415.921 8
Mid Mid (pH 6-8) 3.05 8.29 -44.27 3 6 1 77 416.929 8

Activity (Go SEA)

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