UCSF

ZINC05371083

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 20 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) 4.12 8.34 -10.33 1 4 0 58 284.34 2
Mid Mid (pH 6-8) 3.63 8.13 -46 0 4 -1 57 283.332 3

Activity (Go SEA)

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