UCSF

ZINC42899477

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 18 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) 1.50 3.77 -114.6 5 3 2 52 250.386 6
Mid Mid (pH 6-8) 1.50 2.83 -44.8 4 3 1 51 249.378 6

Activity (Go SEA)

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