UCSF

ZINC13827083

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 21 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) 1.24 9.61 -45.77 1 7 1 66 294.379 6
Mid Mid (pH 6-8) 1.24 10.09 -104.88 2 7 2 68 295.387 6

Activity (Go SEA)

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