UCSF

ZINC41317666

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 22 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) 2.80 8.15 -37.88 2 4 1 46 324.514 8
Hi High (pH 8-9.5) 2.80 5.71 -7.59 1 4 0 45 323.506 8

Activity (Go SEA)

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