UCSF

ZINC39911537

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) 4.77 7.82 -17.33 3 8 0 108 493.604 11
Hi High (pH 8-9.5) 4.54 8.38 -47.8 1 8 -1 107 492.596 11
Hi High (pH 8-9.5) 4.54 8.06 -59.25 1 8 -1 107 492.596 11
Hi High (pH 8-9.5) 4.77 8.92 -42.32 2 8 -1 111 492.596 11

Activity (Go SEA)

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