UCSF

ZINC20433219

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 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) -1.17 0.85 -18.42 3 4 0 68 209.274 4
Lo Low (pH 4.5-6) -1.17 1.23 -53.11 4 4 1 69 210.282 4

Activity (Go SEA)

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