UCSF

ZINC22931882

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.10 9.69 -46.87 1 5 1 39 398.571 10
Hi High (pH 8-9.5) 3.10 7.95 -8.13 0 5 0 38 397.563 10
Mid Mid (pH 6-8) 3.10 10.97 -36.09 1 5 1 39 398.571 10
Lo Low (pH 4.5-6) 3.10 11.42 -97.76 2 5 2 40 399.579 10

Activity (Go SEA)

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

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