UCSF

ZINC38580997

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 23 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) -0.28 -0.51 -26.77 5 11 0 158 361.276 1
Mid Mid (pH 6-8) 0.18 -1.87 -50.04 4 11 -1 161 360.268 1

Activity (Go SEA)

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