UCSF

ZINC04773978

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2006 16 Yes

Other Names:

N/A

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) 3.04 4.18 -11.36 1 2 0 33 209.248 1
Lo Low (pH 4.5-6) 3.04 4.45 -25.12 2 2 1 34 210.256 1

Activity (Go SEA)

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