UCSF

ZINC39113840

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 12 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) 0.23 2.75 -46.86 2 4 1 46 173.236 2
Mid Mid (pH 6-8) 0.23 1.44 -6.3 1 4 0 42 172.228 2

Activity (Go SEA)

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