UCSF

ZINC14991839

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 36 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) 4.42 15.71 -27.85 0 5 0 55 483.656 6
Lo Low (pH 4.5-6) 4.42 15.99 -74.23 1 5 1 56 484.664 6

Activity (Go SEA)

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