UCSF

ZINC39912354

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 36 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) 7.10 14.11 -11.62 2 5 0 69 479.624 5
Hi High (pH 8-9.5) 7.10 14.98 -44.88 1 5 -1 72 478.616 5

Activity (Go SEA)

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