UCSF

ZINC05296713

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 13 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) -0.21 2.8 -18.69 4 7 0 109 180.171 0
Mid Mid (pH 6-8) -1.93 3.28 -41.64 3 7 -1 104 179.163 0

Activity (Go SEA)

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