UCSF

ZINC35485244

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.87 7.73 -8.49 2 5 0 79 431.3 3
Mid Mid (pH 6-8) 6.13 8.46 -39.79 1 5 -1 77 430.292 4
Mid Mid (pH 6-8) 6.33 5.74 -47.08 1 5 -1 82 430.292 3

Activity (Go SEA)

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