UCSF

ZINC44243131

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 12 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) 0.28 -1.88 -18.85 3 5 0 89 252.093 2
Lo Low (pH 4.5-6) 0.28 -1.98 -8.9 3 5 0 85 252.093 2

Activity (Go SEA)

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