UCSF

ZINC41537895

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 19 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) 1.25 5.57 -47.9 1 5 -1 78 262.285 6
Lo Low (pH 4.5-6) 1.25 3.6 -9.48 2 5 0 76 263.293 6

Activity (Go SEA)

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