UCSF

ZINC95924162

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2014 12 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) 1.22 4.43 -35.59 2 3 1 43 170.232 3
Mid Mid (pH 6-8) 1.22 3.19 -4.1 1 3 0 38 169.224 3

Activity (Go SEA)

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

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