UCSF

ZINC16689388

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.83 6.81 -17.02 1 8 0 80 439.512 8
Mid Mid (pH 6-8) 2.83 9.08 -53.76 2 8 1 82 440.52 8

Activity (Go SEA)

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