UCSF

ZINC42463086

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 0.56 5.02 -16.22 0 4 0 41 226.32 3
Mid Mid (pH 6-8) 0.56 7.07 -49.15 1 4 1 42 227.328 3

Activity (Go SEA)

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