UCSF

ZINC49018899

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 25 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) -1.81 -3.77 -157.63 4 13 -2 201 375.234 4
Mid Mid (pH 6-8) -1.81 -4.93 -65.89 5 13 -1 198 376.242 4

Activity (Go SEA)

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