UCSF

ZINC42615492

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2010 20 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) 2.36 4.69 -40.76 3 3 1 40 277.432 8
Lo Low (pH 4.5-6) 2.36 6.41 -116.02 4 3 2 41 278.44 8

Activity (Go SEA)

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