UCSF

ZINC09422289

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 31 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) 4.91 -0.5 -15.13 1 5 0 58 435.955 8
Lo Low (pH 4.5-6) 4.91 -0.33 -50.25 2 5 1 59 436.963 8

Activity (Go SEA)

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

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