UCSF

ZINC95751736

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2014 11 No

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) 0.99 2.93 -41.53 1 3 -1 49 166.591 0
Mid Mid (pH 6-8) 0.99 2.87 -13.75 2 3 0 52 167.599 0
Lo Low (pH 4.5-6) 0.99 3.02 -29.21 3 3 1 53 168.607 0

Activity (Go SEA)

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

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