UCSF

ZINC06927284

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2006 15 Yes

Other Names:

MFCD04125105

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) 1.45 -0.9 -52.36 1 5 -1 78 220.233 2
Hi High (pH 8-9.5) 1.52 -2.53 -118.45 0 5 -2 84 219.225 2
Mid Mid (pH 6-8) 1.45 -1.71 -9.28 2 5 0 75 221.241 2

Activity (Go SEA)

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