UCSF

ZINC48068690

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2010 19 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) 4.55 8.86 -44.24 2 2 1 26 406.163 5
Mid Mid (pH 6-8) 4.55 7.49 -4.84 1 2 0 21 405.155 5

Activity (Go SEA)

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