UCSF

ZINC33121173

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 34 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) 1.26 2.5 -57.41 5 10 1 133 490.606 10
Hi High (pH 8-9.5) 1.26 2.57 -72.89 4 10 0 136 489.598 10
Hi High (pH 8-9.5) 1.26 1.08 -25.28 4 10 0 129 489.598 10

Activity (Go SEA)

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