UCSF

ZINC39306192

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.67 10.4 -43.5 1 4 1 32 342.459 8
Hi High (pH 8-9.5) 3.67 8.19 -8 0 4 0 31 341.451 8

Activity (Go SEA)

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