UCSF

ZINC41368899

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 24 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) 3.98 11.5 -8.62 0 3 0 33 336.822 5
Lo Low (pH 4.5-6) 3.98 11.97 -36.99 1 3 1 34 337.83 5

Activity (Go SEA)

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