UCSF

ZINC16661325

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 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) 1.68 3.41 -50.26 2 8 1 105 430.572 6
Hi High (pH 8-9.5) 1.68 1.31 -21.57 1 8 0 104 429.564 6
Hi High (pH 8-9.5) 1.68 3.01 -44.49 1 8 0 107 429.564 6

Activity (Go SEA)

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