UCSF

ZINC04528490

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 21 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) 4.63 10.31 -7.83 1 3 0 37 313.813 4
Ref Reference (pH 7) 5.56 10.52 -8.76 1 3 0 41 313.813 3

Activity (Go SEA)

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