UCSF

ZINC34684871

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 29 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) 3.35 10.37 -44.34 2 5 1 40 395.571 7
Mid Mid (pH 6-8) 3.35 12.61 -95.62 3 5 2 41 396.579 7
Mid Mid (pH 6-8) 3.35 10.39 -84.28 3 5 2 41 396.579 7

Activity (Go SEA)

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