UCSF

ZINC43247849

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 2.93 7.78 -30.85 3 2 1 30 295.497 6
Mid Mid (pH 6-8) 2.93 6.12 -35.54 3 2 1 31 295.497 6
Mid Mid (pH 6-8) 2.93 8.19 -113.4 4 2 2 32 296.505 6

Activity (Go SEA)

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