UCSF

ZINC42450552

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 0.92 1.66 -39.03 3 4 1 49 243.371 6
Mid Mid (pH 6-8) 0.92 3.56 -102.66 4 4 2 51 244.379 6

Activity (Go SEA)

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