UCSF

ZINC16701084

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 29 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) 1.82 1.41 -22.86 1 8 0 104 457.599 7
Mid Mid (pH 6-8) 1.82 4.07 -54.41 2 8 1 105 458.607 7

Activity (Go SEA)

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