UCSF

ZINC20900677

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 30 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) 4.31 11.1 -49.37 1 6 1 64 411.522 1
Mid Mid (pH 6-8) 4.31 8.69 -12.92 0 6 0 63 410.514 1

Activity (Go SEA)

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