UCSF

ZINC23068172

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 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) 0.56 5.82 -31.04 3 3 1 40 237.367 5
Mid Mid (pH 6-8) 0.56 6.08 -124.25 4 3 2 41 238.375 5
Mid Mid (pH 6-8) 0.56 4.11 -40.72 3 3 1 40 237.367 5

Activity (Go SEA)

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