UCSF

ZINC04480203

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2005 24 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) 2.36 5.1 -17.44 2 7 0 97 331.372 8
Hi High (pH 8-9.5) 2.81 3.36 -43.14 1 7 -1 100 330.364 8
Hi High (pH 8-9.5) 2.81 2.51 -56.83 1 7 -1 100 330.364 8

Activity (Go SEA)

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