UCSF

ZINC62934732

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 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) 0.25 2.42 -92.21 1 9 -2 125 280.288 4
Lo Low (pH 4.5-6) 0.25 2.42 -53.8 2 9 -1 127 281.296 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.