UCSF

ZINC03873791

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 33 Yes

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) 4.41 0.15 -16.77 1 6 0 73 461.949 7
Lo Low (pH 4.5-6) 4.41 0.26 -45.38 2 6 1 74 462.957 7

Activity (Go SEA)

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