UCSF

ZINC67573840

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 1.96 7.18 -36.97 1 4 1 38 304.208 5
Hi High (pH 8-9.5) 1.96 4.96 -11.48 0 4 0 37 303.2 5

Activity (Go SEA)

Rings

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