UCSF

ZINC64539302

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 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) 0.42 5.15 -100.01 1 7 -2 119 297.307 8
Lo Low (pH 4.5-6) 0.42 3.12 -50.74 2 7 -1 116 298.315 8

Activity (Go SEA)

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

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