UCSF

ZINC35511843

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 4.18 12.37 -18.75 1 5 0 58 406.917 6
Mid Mid (pH 6-8) 4.18 12.75 -35.68 2 5 1 59 407.925 6

Activity (Go SEA)

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