UCSF

ZINC13671350

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 16 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) 2.14 6.47 -16.53 2 5 0 70 219.292 5
Lo Low (pH 4.5-6) 2.14 2.38 -38.14 3 5 1 71 220.3 5

Activity (Go SEA)

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