UCSF

ZINC13554784

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 25 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) 1.87 1.39 -11.57 2 7 0 87 349.431 4
Mid Mid (pH 6-8) 1.87 3.67 -47.65 3 7 1 89 350.439 4

Activity (Go SEA)

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