UCSF

ZINC42442521

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) -0.18 1.82 -97.66 4 5 2 60 248.367 11
Hi High (pH 8-9.5) -0.18 0.17 -37.95 3 5 1 59 247.359 11
Mid Mid (pH 6-8) -0.18 2.35 -36.89 3 5 1 63 247.359 11

Activity (Go SEA)

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