UCSF

ZINC37939710

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2009 12 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) 2.05 4.32 -5.95 1 2 0 36 180.276 4
Lo Low (pH 4.5-6) 2.05 5.34 -45.68 2 2 1 40 181.284 4

Activity (Go SEA)

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