UCSF

ZINC03871886

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 13 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) -1.47 -5.45 -56.1 5 5 1 85 183.235 5
Mid Mid (pH 6-8) -1.47 -5.17 -92.95 6 5 2 86 184.243 5

Activity (Go SEA)

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