UCSF

ZINC05868517

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 23 No

Download: MOL2 SDF SMILES Flexibase

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) 1.10 3.65 -18.32 2 9 0 133 311.257 3
Ref Reference (pH 7) 1.56 1.09 -14.79 2 9 0 133 311.257 3
Mid Mid (pH 6-8) 1.56 1.88 -43.83 1 9 -1 136 310.249 3
Mid Mid (pH 6-8) 1.56 1.63 -47 1 9 -1 136 310.249 3

Activity (Go SEA)

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