UCSF

ZINC47915987

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2010 18 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) -1.20 -0.46 -40.86 2 6 1 57 258.342 4
Mid Mid (pH 6-8) -1.20 -0.33 -36.96 2 6 1 57 258.342 4
Mid Mid (pH 6-8) -1.20 -2.65 -10.66 1 6 0 56 257.334 4

Activity (Go SEA)

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