UCSF

ZINC07209259

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2006 26 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) 4.45 8.18 -15.38 1 5 0 60 374.506 7
Lo Low (pH 4.5-6) 4.45 9.09 -32.48 2 5 1 62 375.514 7

Activity (Go SEA)

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