UCSF

ZINC05375842

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.98 1.55 -6.9 0 4 0 52 221.285 3
Lo Low (pH 4.5-6) 1.98 2.03 -40.24 1 4 1 53 222.293 3

Activity (Go SEA)

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