UCSF

ZINC16895228

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) 5.75 10.62 -22.06 2 8 0 114 514.654 7
Mid Mid (pH 6-8) 5.75 11.12 -19.48 2 8 0 114 514.654 7
Mid Mid (pH 6-8) 6.21 9.25 -51.69 1 8 -1 117 513.646 7

Activity (Go SEA)

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