UCSF

ZINC12376380

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2008 19 No

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) 4.13 6.85 -9.41 2 3 0 41 295.169 3
Ref Reference (pH 7) 3.76 4.4 -4.56 2 3 0 45 295.169 4
Ref Reference (pH 7) 3.76 4.36 -5.21 2 3 0 45 295.169 4
Mid Mid (pH 6-8) 3.76 5.61 -38.66 3 3 1 46 296.177 4

Activity (Go SEA)

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