UCSF

ZINC42451623

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 13 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) 2.42 4.42 -2.53 0 2 0 12 250.18 4
Mid Mid (pH 6-8) 2.42 6.27 -35.47 1 2 1 14 251.188 4

Activity (Go SEA)

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