UCSF

ZINC16893285

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 34 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) 4.55 10.87 -19.71 2 8 0 116 490.614 5
Mid Mid (pH 6-8) 4.55 11.12 -15.91 2 8 0 116 490.614 5
Mid Mid (pH 6-8) 5.01 9.63 -47.61 1 8 -1 120 489.606 5

Activity (Go SEA)

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