UCSF

ZINC42171842

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 1.48 8.34 -178.61 4 4 3 38 263.409 4
Hi High (pH 8-9.5) 1.48 5.8 -40.27 2 4 1 36 261.393 4
Mid Mid (pH 6-8) 1.48 6.12 -76.86 3 4 2 37 262.401 4
Mid Mid (pH 6-8) 1.48 8.02 -111.74 3 4 2 37 262.401 4

Activity (Go SEA)

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