UCSF

ZINC34668399

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 30 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) 3.05 10.17 -44.86 2 5 1 40 411.545 7
Mid Mid (pH 6-8) 3.05 12.38 -85.46 3 5 2 41 412.553 7

Activity (Go SEA)

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