UCSF

ZINC62027280

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 27 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) 0.79 0.07 -19.12 3 9 0 131 389.389 5
Hi High (pH 8-9.5) 1.24 -2.56 -52.11 2 9 -1 134 388.381 5

Activity (Go SEA)

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

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