UCSF

ZINC16944304

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 28 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) 1.67 5.99 -103.98 0 8 -2 124 378.34 6
Ref Reference (pH 7) 1.67 5.81 -107.6 0 8 -2 124 378.34 6
Mid Mid (pH 6-8) 1.21 8.49 -49.02 1 8 -1 121 379.348 6

Activity (Go SEA)

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