UCSF

ZINC43894438

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.13 8.61 -108.79 3 3 2 34 263.429 5
Hi High (pH 8-9.5) 2.13 6.62 -33.73 2 3 1 33 262.421 5
Mid Mid (pH 6-8) 2.12 6.64 -84.1 3 3 2 34 263.429 5

Activity (Go SEA)

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