UCSF

ZINC34886681

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 30 No

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) 5.60 13.67 -18.2 1 6 0 62 467.784 4
Mid Mid (pH 6-8) 5.79 11.88 -60.92 0 6 -1 68 466.776 4

Activity (Go SEA)

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