UCSF

ZINC22802279

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 3.09 8.37 -33.42 1 4 1 34 337.44 5
Mid Mid (pH 6-8) 3.09 8.32 -26.21 1 4 1 34 337.44 5
Mid Mid (pH 6-8) 3.09 5.9 -7.97 0 4 0 33 336.432 5

Activity (Go SEA)

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