UCSF

ZINC13810809

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 29 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) 0.35 3.29 -16.88 4 10 0 134 403.439 9
Mid Mid (pH 6-8) 0.35 3.73 -47.19 5 10 1 136 404.447 9

Activity (Go SEA)

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