UCSF

ZINC34689292

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 17 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) 1.10 5.96 -92.43 5 4 2 69 234.347 2
Hi High (pH 8-9.5) 1.10 5.98 -31.25 4 4 1 67 233.339 2

Activity (Go SEA)

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