UCSF

ZINC16672957

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 31 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) 2.57 5.91 -18.67 1 8 0 80 445.903 7
Mid Mid (pH 6-8) 2.57 8.17 -48.18 2 8 1 82 446.911 7

Activity (Go SEA)

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