UCSF

ZINC43900105

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) 3.38 8.08 -117.26 3 3 2 30 282.472 4
Hi High (pH 8-9.5) 3.38 5.03 -0.91 1 3 0 24 280.456 4
Hi High (pH 8-9.5) 3.38 6.6 -37.16 2 3 1 29 281.464 4
Mid Mid (pH 6-8) 3.38 6.98 -30.18 2 3 1 26 281.464 4

Activity (Go SEA)

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