UCSF

ZINC01822835

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 24 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) 4.69 13.68 -12.6 0 4 0 43 336.826 3
Mid Mid (pH 6-8) 4.69 15.01 -48.87 2 4 1 47 337.834 3
Mid Mid (pH 6-8) 4.69 14 -36.77 1 4 1 45 337.834 3

Activity (Go SEA)

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