UCSF

ZINC04889546

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 28 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) 5.17 12.95 -114.36 0 4 -2 80 492.353 3
Mid Mid (pH 6-8) 5.17 11.61 -38.56 1 4 -1 77 493.361 3
Mid Mid (pH 6-8) 5.17 10.73 -35.85 1 4 -1 77 493.361 3

Activity (Go SEA)

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