UCSF

ZINC00001802

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 25 No

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) 3.03 1.89 -12.79 0 8 0 110 346.339 6
Mid Mid (pH 6-8) 3.21 1.9 -12.17 0 8 0 110 346.339 6

Activity (Go SEA)

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