UCSF

ZINC06922152

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 23 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) 4.11 6.95 -17.66 2 5 0 71 377.238 5
Hi High (pH 8-9.5) 4.11 7.73 -64.09 1 5 -1 74 376.23 5
Hi High (pH 8-9.5) 4.11 7.38 -44.79 1 5 -1 74 376.23 5

Activity (Go SEA)

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