UCSF

ZINC71538567

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.93 5.36 -19.93 1 7 0 89 361.423 3
Hi High (pH 8-9.5) 1.93 4.9 -66.49 0 7 -1 91 360.415 3

Activity (Go SEA)

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

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