UCSF

ZINC03955529

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 37 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) 1.08 -1.74 -18.56 2 9 0 115 499.502 5
Lo Low (pH 4.5-6) 1.08 -1.63 -50.22 3 9 1 116 500.51 5

Activity (Go SEA)

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