UCSF

ZINC60645369

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2011 23 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) 0.99 5.88 -16.88 2 6 0 78 314.389 3
Lo Low (pH 4.5-6) 0.99 6.37 -52.4 3 6 1 79 315.397 3

Activity (Go SEA)

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