UCSF

ZINC41869089

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 23 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) 2.01 2.54 -11 1 6 0 60 320.389 5
Mid Mid (pH 6-8) 2.01 5.59 -49.59 2 6 1 61 321.397 5

Activity (Go SEA)

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