UCSF

ZINC42818448

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 No

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) 0.98 5.36 -49.74 2 5 1 63 269.365 5
Hi High (pH 8-9.5) 0.98 4.02 -10.37 1 5 0 59 268.357 5

Activity (Go SEA)

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