UCSF

ZINC48669952

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 23 No

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) 1.14 2.82 -10.61 3 6 0 87 331.294 6
Hi High (pH 8-9.5) 1.33 2.06 -52.21 2 6 -1 94 330.286 6

Activity (Go SEA)

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