UCSF

ZINC39354554

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 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) 3.95 10.57 -102.75 3 6 2 77 460.965 4
Hi High (pH 8-9.5) 3.95 8.62 -32.5 2 6 1 76 459.957 4

Activity (Go SEA)

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