UCSF

ZINC42529839

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 15 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) 1.17 4.54 -86.95 5 4 2 69 208.309 5
Mid Mid (pH 6-8) 1.17 4.2 -32.92 4 4 1 68 207.301 5

Activity (Go SEA)

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