UCSF

ZINC43906170

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) 2.81 6.48 -34.27 2 3 1 29 261.389 5
Hi High (pH 8-9.5) 2.81 5.72 -2.76 1 3 0 24 260.381 5
Mid Mid (pH 6-8) 2.81 8.41 -118.18 3 3 2 30 262.397 5
Mid Mid (pH 6-8) 2.81 7.4 -37.62 2 3 1 26 261.389 5

Activity (Go SEA)

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