UCSF

ZINC05238887

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 22 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) 3.64 6.02 -40.76 0 7 -1 118 315.334 5
Mid Mid (pH 6-8) 3.64 -0.69 -11.31 1 7 0 115 316.342 5

Activity (Go SEA)

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