UCSF

ZINC34656199

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 21 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) 2.69 8.36 -92.86 3 4 2 40 294.439 10
Hi High (pH 8-9.5) 2.69 6.25 -32.22 2 4 1 38 293.431 10

Activity (Go SEA)

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