UCSF

ZINC34551531

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 2.12 6.65 -46.08 0 4 -1 59 231.312 12
Lo Low (pH 4.5-6) 2.12 4.67 -8.92 1 4 0 56 232.32 12

Activity (Go SEA)

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