UCSF

ZINC42244767

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 2.19 3.62 -6.14 1 3 0 33 257.333 3
Mid Mid (pH 6-8) 2.19 5.92 -40.42 2 3 1 34 258.341 3

Activity (Go SEA)

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