UCSF

ZINC39960721

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 25 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) 5.19 7.05 -8.48 1 3 0 45 326.399 3
Lo Low (pH 4.5-6) 5.19 7.91 -27.9 2 3 1 47 327.407 3
Lo Low (pH 4.5-6) 5.19 8.08 -27.18 2 3 1 47 327.407 3

Activity (Go SEA)

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