UCSF

ZINC04524417

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 29 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) 4.09 8.26 -15.85 1 6 0 81 414.458 6
Ref Reference (pH 7) 3.16 8.72 -25.23 1 6 0 78 414.458 7
Lo Low (pH 4.5-6) 4.09 9.37 -44.48 2 6 1 82 415.466 6

Activity (Go SEA)

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