UCSF

ZINC36239722

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 28 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) 3.25 7.32 -45.76 2 6 1 56 401.918 5
Hi High (pH 8-9.5) 3.25 7.35 -9.71 1 6 0 51 400.91 5
Lo Low (pH 4.5-6) 3.25 7.91 -77.99 3 6 2 57 402.926 5

Activity (Go SEA)

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