UCSF

ZINC34669031

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 26 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) 3.20 6.44 -9.83 1 5 0 48 392.956 6
Lo Low (pH 4.5-6) 3.20 8.67 -52.45 2 5 1 50 393.964 6

Activity (Go SEA)

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