UCSF

ZINC52131553

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 17 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) 2.23 5.99 -6.87 0 3 0 30 243.253 6
Mid Mid (pH 6-8) 2.23 7.98 -47.65 1 3 1 31 244.261 6

Activity (Go SEA)

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