UCSF

ZINC39237955

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 29 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) 5.08 10.28 -10.31 0 6 0 73 472.364 5
Lo Low (pH 4.5-6) 5.08 11.27 -43.76 1 6 1 75 473.372 5

Activity (Go SEA)

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