UCSF

ZINC44198384

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 12 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) -1.28 1.89 -44.54 3 4 0 81 166.18 3
Lo Low (pH 4.5-6) -1.28 2.44 -62.41 4 4 1 82 167.188 3

Activity (Go SEA)

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