UCSF

ZINC29635239

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2009 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) 2.10 6.24 -45.82 2 5 1 48 346.476 5
Hi High (pH 8-9.5) 2.10 4 -14.94 1 5 0 47 345.468 5

Activity (Go SEA)

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