UCSF

ZINC34558988

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 24 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) 5.09 10.92 -42.39 2 2 1 29 425.177 0
Hi High (pH 8-9.5) 5.09 9.65 -4.87 1 2 0 25 424.169 0

Activity (Go SEA)

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