UCSF

ZINC40185392

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.92 14.71 -12.32 0 6 0 60 477.008 9
Mid Mid (pH 6-8) 4.92 15.47 -33.55 1 6 1 62 478.016 9

Activity (Go SEA)

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