UCSF

ZINC17108085

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.64 -1.94 -12.04 3 8 0 121 283.284 3
Mid Mid (pH 6-8) -0.64 -1.52 -40.3 4 8 1 122 284.292 3

Activity (Go SEA)

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