UCSF

ZINC06045502

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2006 26 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) 3.23 9.47 -45.97 1 5 -1 60 377.371 5
Mid Mid (pH 6-8) 2.50 9.62 -17.84 2 5 0 63 378.379 5

Activity (Go SEA)

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