UCSF

ZINC34537773

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 22 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) 3.60 4.54 -10.7 2 5 0 80 318.712 2
Hi High (pH 8-9.5) 3.60 5.54 -52.92 1 5 -1 83 317.704 2

Activity (Go SEA)

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