UCSF

ZINC21949849

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 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) 0.08 1.4 -53.32 3 5 1 79 219.268 5
Lo Low (pH 4.5-6) 0.08 1.78 -89.55 4 5 2 81 220.276 5

Activity (Go SEA)

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