UCSF

ZINC42188150

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 16 Yes

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) 0.62 0.56 -52.14 3 5 1 66 248.372 3
Mid Mid (pH 6-8) 0.62 -0.09 -7.48 2 5 0 61 247.364 3

Activity (Go SEA)

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