UCSF

ZINC62666196

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 1.19 8.18 -71.61 1 5 -1 76 271.296 2
Lo Low (pH 4.5-6) 2.49 6.31 -40.22 2 5 0 78 272.304 2

Activity (Go SEA)

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

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