UCSF

ZINC43907771

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 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) 1.55 5.44 -114.67 3 4 2 34 283.46 3
Hi High (pH 8-9.5) 1.55 4.9 -33.4 2 4 1 29 282.452 3
Mid Mid (pH 6-8) 1.55 4.47 -34.08 2 4 1 29 282.452 3
Lo Low (pH 4.5-6) 1.55 6.66 -102.9 3 4 2 30 283.46 3
Lo Low (pH 4.5-6) 1.55 5.73 -88.45 3 4 2 34 283.46 3

Activity (Go SEA)

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