UCSF

ZINC12383965

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 22 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) 3.12 7.11 -11.56 1 4 0 47 296.37 6
Mid Mid (pH 6-8) 3.12 7.69 -31.43 2 4 1 49 297.378 6

Activity (Go SEA)

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