UCSF

ZINC16700873

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 29 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) 2.03 4.26 -50.79 2 8 1 105 444.599 6
Hi High (pH 8-9.5) 2.03 2.02 -19.28 1 8 0 104 443.591 6

Activity (Go SEA)

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