UCSF

ZINC49177288

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 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) 3.26 5.14 -5.93 0 4 0 31 297.782 2
Lo Low (pH 4.5-6) 3.26 7.12 -44.59 1 4 1 32 298.79 2

Activity (Go SEA)

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