UCSF

ZINC47278546

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2010 29 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) 2.95 11.93 -17.76 0 5 0 44 391.515 5
Lo Low (pH 4.5-6) 2.95 12.32 -31.07 1 5 0 45 392.523 5

Activity (Go SEA)

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