UCSF

ZINC38272064

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 16 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) 1.66 5.58 -86.07 5 4 2 57 222.336 4
Hi High (pH 8-9.5) 1.66 5.1 -38.62 4 4 1 55 221.328 4

Activity (Go SEA)

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