UCSF

ZINC44869754

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 17 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) -1.31 -4.27 -13.87 4 7 0 102 244.295 4
Lo Low (pH 4.5-6) -1.31 -1.98 -50.14 5 7 1 104 245.303 4

Activity (Go SEA)

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