UCSF

ZINC48583823

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 16 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) 1.56 3.03 -13.12 1 5 0 59 230.308 8
Mid Mid (pH 6-8) 1.56 5.21 -44.22 2 5 1 60 231.316 8

Activity (Go SEA)

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