UCSF

ZINC43240679

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 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) 3.24 9.79 -111.5 4 2 2 32 302.487 4
Hi High (pH 8-9.5) 3.24 7.56 -2.74 2 2 0 29 300.471 4
Mid Mid (pH 6-8) 3.24 8.23 -37.77 3 2 1 31 301.479 4

Activity (Go SEA)

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