UCSF

ZINC42946497

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 21 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) 2.05 4.21 -44.17 3 4 1 49 315.865 10
Mid Mid (pH 6-8) 2.05 5.77 -120.38 4 4 2 51 316.873 10

Activity (Go SEA)

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