UCSF

ZINC40411812

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 20 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) 5.42 7.09 -8.25 2 3 0 49 330.598 2
Mid Mid (pH 6-8) 5.42 8.09 -43.57 1 3 -1 52 329.59 2

Activity (Go SEA)

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