UCSF

ZINC19482039

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 1.73 3.52 -16.24 2 3 0 38 250.367 3
Lo Low (pH 4.5-6) 1.73 5.89 -50.03 3 3 1 40 251.375 3

Activity (Go SEA)

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