UCSF

ZINC39886287

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 27 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) 0.67 4.82 -17.82 3 11 0 158 408.421 5
Hi High (pH 8-9.5) 0.30 2.86 -46.92 2 11 -1 164 407.413 5

Activity (Go SEA)

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