UCSF

ZINC43969132

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 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) 2.89 7.09 -102.6 3 3 2 30 266.429 8
Hi High (pH 8-9.5) 2.89 5.21 -38.81 2 3 1 29 265.421 8
Hi High (pH 8-9.5) 2.89 3.59 -2.17 1 3 0 24 264.413 8
Mid Mid (pH 6-8) 2.89 5.52 -26.77 2 3 1 26 265.421 8

Activity (Go SEA)

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