UCSF

ZINC04483877

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2005 31 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) 3.85 8.28 -21.66 1 8 0 94 419.485 6
Ref Reference (pH 7) 3.85 7.65 -14.45 1 8 0 94 419.485 6
Ref Reference (pH 7) 3.85 7.17 -14.17 1 8 0 94 419.485 6
Ref Reference (pH 7) 3.85 7.14 -11.94 1 8 0 94 419.485 6

Activity (Go SEA)

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