UCSF

ZINC34660749

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 20 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) 1.36 5.39 -40.22 2 5 1 55 299.778 5
Hi High (pH 8-9.5) 1.36 3.93 -12.29 1 5 0 51 298.77 5

Activity (Go SEA)

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