UCSF

ZINC43411653

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 1.81 3.33 -35.78 3 4 1 49 244.403 8
Hi High (pH 8-9.5) 1.81 1.55 -6.59 2 4 0 44 243.395 8
Mid Mid (pH 6-8) 1.81 4.18 -31.31 3 4 1 46 244.403 8
Lo Low (pH 4.5-6) 1.81 5.31 -105.75 4 4 2 50 245.411 8

Activity (Go SEA)

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