UCSF

ZINC47611313

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2010 19 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) 2.27 7.94 -13.46 0 6 0 75 266.297 8
Mid Mid (pH 6-8) 2.27 9.31 -42.01 1 6 1 77 267.305 8

Activity (Go SEA)

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