UCSF

ZINC42748003

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.06 5.77 -37.99 3 3 1 40 265.421 8
Hi High (pH 8-9.5) 1.06 5.37 -2.17 2 3 0 38 264.413 8
Mid Mid (pH 6-8) 1.06 7.3 -113.87 4 3 2 41 266.429 8

Activity (Go SEA)

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