UCSF

ZINC40187391

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) 6.48 14.62 -10.58 1 5 0 56 476.02 9
Mid Mid (pH 6-8) 6.48 15.18 -35.47 2 5 1 57 477.028 9

Activity (Go SEA)

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