UCSF

ZINC20282996

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 35 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) 2.46 7.87 -33.21 1 9 0 90 481.597 10
Mid Mid (pH 6-8) 2.46 10.2 -67.67 2 9 1 91 482.605 10

Activity (Go SEA)

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