UCSF

ZINC19604607

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 29 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) 3.84 10.77 -54.85 2 5 1 54 398.502 5
Hi High (pH 8-9.5) 3.84 8.55 -14.79 1 5 0 53 397.494 5

Activity (Go SEA)

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