UCSF

ZINC16894149

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 28 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) 4.04 8.01 -21.7 2 7 0 101 435.6 5
Mid Mid (pH 6-8) 4.04 8.27 -19.69 2 7 0 101 435.6 5
Mid Mid (pH 6-8) 4.50 6.64 -54.08 1 7 -1 104 434.592 5

Activity (Go SEA)

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