UCSF

ZINC48429992

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.53 6.31 -38.65 0 3 -1 48 333.191 3
Lo Low (pH 4.5-6) 4.53 5.86 -8.23 1 3 0 46 334.199 3

Activity (Go SEA)

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