UCSF

ZINC41478983

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 20 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) 4.05 8.81 -25.45 1 3 1 27 336.253 1
Hi High (pH 8-9.5) 4.05 8.45 -5.88 0 3 0 25 335.245 1

Activity (Go SEA)

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