UCSF

ZINC39756544

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 23 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) 3.36 4.78 -46.52 1 5 0 75 325.393 3
Mid Mid (pH 6-8) 3.36 4.27 -42.89 2 5 1 73 326.401 3

Activity (Go SEA)

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