UCSF

ZINC39899943

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.91 12.72 -11.32 0 3 0 27 375.299 5
Lo Low (pH 4.5-6) 5.91 13.42 -28.97 1 3 1 28 376.307 5

Activity (Go SEA)

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