UCSF

ZINC06045435

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) 4.39 10.95 -14.24 1 5 0 59 362.82 4
Lo Low (pH 4.5-6) 4.39 11.36 -33.02 2 5 1 61 363.828 4
Lo Low (pH 4.5-6) 4.39 11.23 -40.88 2 5 1 61 363.828 4

Activity (Go SEA)

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