UCSF

ZINC07844636

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2006 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) 3.22 6.22 -9.74 1 4 0 43 290.388 3
Lo Low (pH 4.5-6) 3.22 6.58 -28.17 2 4 1 45 291.396 3

Activity (Go SEA)

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