UCSF

ZINC36226362

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 3.68 6.2 -23.83 4 3 1 52 234.367 2
Mid Mid (pH 6-8) 3.68 5.79 -4.22 3 3 0 51 233.359 2

Activity (Go SEA)

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