UCSF

ZINC47385393

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2010 22 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) 2.57 9.15 -14.83 1 5 0 60 312.76 3
Lo Low (pH 4.5-6) 2.57 9.61 -34.47 2 5 1 61 313.768 3

Activity (Go SEA)

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