UCSF

ZINC12545252

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 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) 4.46 8.73 -11.16 0 3 0 39 297.741 3
Lo Low (pH 4.5-6) 4.46 8.99 -35.3 1 3 1 40 298.749 3

Activity (Go SEA)

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