UCSF

ZINC17317780

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 26 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) 3.76 8.52 -7.85 1 4 0 43 348.446 8
Lo Low (pH 4.5-6) 3.76 9.85 -111.82 3 4 2 49 350.462 8

Activity (Go SEA)

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