UCSF

ZINC42467439

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 2.17 7.44 -29.07 1 3 1 31 240.367 4
Mid Mid (pH 6-8) 2.17 5.26 -6.85 0 3 0 30 239.359 4

Activity (Go SEA)

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