UCSF

ZINC39310783

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 14 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) 1.50 5.55 -10.39 0 3 0 24 192.262 2
Lo Low (pH 4.5-6) 1.50 5.88 -25.44 1 3 0 25 193.27 2

Activity (Go SEA)

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