UCSF

ZINC21538140

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 30 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) 2.74 9.55 -9.75 0 7 0 62 410.518 8
Mid Mid (pH 6-8) -0.25 11.35 -19.99 1 7 0 72 410.518 8
Mid Mid (pH 6-8) -0.25 13.68 -59.62 2 7 1 73 411.526 8
Lo Low (pH 4.5-6) -0.25 11.56 -110.83 3 7 2 74 412.534 8
Lo Low (pH 4.5-6) -0.25 9.23 -42.57 2 7 1 73 411.526 8

Activity (Go SEA)

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

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