UCSF

ZINC33763494

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 30 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) 0.83 6.56 -72.89 2 8 0 107 411.458 8
Hi High (pH 8-9.5) 0.83 4.03 -57.36 1 8 -1 106 410.45 8

Activity (Go SEA)

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