UCSF

ZINC34679378

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 18 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) 1.47 8.17 -29.78 3 2 1 30 247.406 4
Mid Mid (pH 6-8) 1.47 7.82 -124.77 4 2 2 32 248.414 4

Activity (Go SEA)

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