UCSF

ZINC04560311

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 18 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) 1.76 7.37 -108.08 3 3 2 24 247.386 2
Hi High (pH 8-9.5) 1.76 3.64 -2.65 1 3 0 19 245.37 2

Activity (Go SEA)

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