UCSF

ZINC42163901

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 0.03 3.41 -42.88 0 4 -1 67 167.188 3
Mid Mid (pH 6-8) 0.03 5.51 -50.09 1 4 0 68 168.196 3

Activity (Go SEA)

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