UCSF

ZINC38741208

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 24 No

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) 3.50 10.13 -13.88 1 4 0 49 424.389 6
Lo Low (pH 4.5-6) 3.50 10.47 -42.26 2 4 1 50 425.397 6

Activity (Go SEA)

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