UCSF

ZINC44221671

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 14 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) 2.82 7.44 -45.73 0 2 -1 40 193.197 2
Lo Low (pH 4.5-6) 2.82 5.47 -5.89 1 2 0 37 194.205 2

Activity (Go SEA)

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