UCSF

ZINC42822431

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 2.82 6.45 -24.71 2 4 1 48 258.345 3
Mid Mid (pH 6-8) 2.82 6.35 -10.91 1 4 0 47 257.337 3
Mid Mid (pH 6-8) 2.82 6.47 -25.93 2 4 1 48 258.345 3

Activity (Go SEA)

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