UCSF

ZINC42868338

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 2.62 6.07 -42.23 4 3 1 57 275.416 5
Mid Mid (pH 6-8) 2.62 5.77 -6.28 3 3 0 55 274.408 5

Activity (Go SEA)

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