UCSF

ZINC47538707

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2010 27 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) 1.42 6.06 -12.35 1 6 0 62 373.497 6
Lo Low (pH 4.5-6) 1.42 8.01 -49.51 2 6 1 63 374.505 6

Activity (Go SEA)

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