UCSF

ZINC05200838

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 25 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) 4.20 11.25 -51.74 2 4 1 37 379.311 4
Mid Mid (pH 6-8) 4.20 8.89 -8.82 1 4 0 36 378.303 4

Activity (Go SEA)

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