UCSF

ZINC39232898

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 33 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) 7.76 15.01 -8.52 0 2 0 25 422.531 4
Lo Low (pH 4.5-6) 7.76 15.87 -31.34 1 2 1 26 423.539 4
Lo Low (pH 4.5-6) 7.76 14.89 -30.01 1 2 1 26 423.539 4

Activity (Go SEA)

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