UCSF

ZINC42251658

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 16 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) 2.24 9.48 -49.67 1 2 1 28 235.738 5
Mid Mid (pH 6-8) 2.24 7.14 -7.45 0 2 0 27 234.73 5

Activity (Go SEA)

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