UCSF

ZINC49632864

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 15 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) 0.41 2.85 -117.28 4 3 2 55 208.236 2
Hi High (pH 8-9.5) 0.41 1.47 -4.74 2 3 0 52 206.22 2

Activity (Go SEA)

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