UCSF

ZINC06352187

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2006 21 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) 3.46 -2.03 -10.93 1 5 0 82 321.427 4
Hi High (pH 8-9.5) 3.46 -1.48 -38.03 0 5 -1 84 320.419 4

Activity (Go SEA)

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