UCSF

ZINC07276364

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2006 19 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) 1.43 5.78 -47.2 2 4 1 48 259.329 6
Lo Low (pH 4.5-6) 1.43 6.06 -102.67 3 4 2 49 260.337 6

Activity (Go SEA)

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