UCSF

ZINC43972542

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 2.59 7.43 -106.89 3 3 2 30 256.434 7
Hi High (pH 8-9.5) 2.58 4.99 -35.15 2 3 1 29 255.426 7
Hi High (pH 8-9.5) 2.58 4.98 -0.8 1 3 0 24 254.418 7
Mid Mid (pH 6-8) 2.59 7.15 -27.97 2 3 1 26 255.426 7

Activity (Go SEA)

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