UCSF

ZINC25449563

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 32 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) 5.03 9.27 -22.87 2 7 0 101 464.572 6
Hi High (pH 8-9.5) 5.10 8.36 -50.81 1 7 -1 107 463.564 6
Hi High (pH 8-9.5) 5.03 9.36 -50.54 1 7 -1 103 463.564 6
Hi High (pH 8-9.5) 5.10 8.45 -96.36 0 7 -2 109 462.556 6

Activity (Go SEA)

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