UCSF

ZINC42823713

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 0.00 -1.34 -47.17 6 6 1 106 295.359 5
Mid Mid (pH 6-8) 0.00 -1.67 -11.77 5 6 0 105 294.351 5

Activity (Go SEA)

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