UCSF

ZINC42458527

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 1.50 3.75 -8.24 3 6 0 88 251.334 5
Mid Mid (pH 6-8) 1.50 4.47 -31.32 4 6 1 89 252.342 5

Activity (Go SEA)

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