UCSF

ZINC04123313

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 15 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) 2.10 -1.48 -6.44 1 3 0 37 217.297 4
Lo Low (pH 4.5-6) 2.10 -1.37 -34.76 2 3 1 39 218.305 4

Activity (Go SEA)

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