UCSF

ZINC42901380

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 2.69 8.56 -123.85 4 2 2 32 274.383 5
Mid Mid (pH 6-8) 2.69 6.58 -52.8 3 2 1 31 273.375 5
Mid Mid (pH 6-8) 2.69 8.26 -39.1 3 2 1 30 273.375 5

Activity (Go SEA)

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