UCSF

ZINC00026373

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2005 17 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) 1.12 1.97 -43.07 2 4 1 42 234.323 2
Lo Low (pH 4.5-6) 1.12 2.25 -89.27 3 4 2 43 235.331 2

Activity (Go SEA)

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