UCSF

ZINC34830417

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 38 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) 5.90 15.45 -15.66 0 5 0 44 529.75 6
Mid Mid (pH 6-8) 5.90 17.04 -45.8 1 5 1 45 530.758 6

Activity (Go SEA)

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