UCSF

ZINC16899339

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 35 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) 6.17 11.95 -27.49 2 7 0 101 525.725 7
Mid Mid (pH 6-8) 6.17 12.36 -22.45 2 7 0 101 525.725 7
Mid Mid (pH 6-8) 6.63 10.63 -63.24 1 7 -1 104 524.717 7

Activity (Go SEA)

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