UCSF

ZINC57943468

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 17 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) 3.10 7.59 -34.94 2 2 1 16 298.248 4
Mid Mid (pH 6-8) 3.10 6.54 -43.69 2 2 1 20 298.248 4

Activity (Go SEA)

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