UCSF

ZINC39675728

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 32 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) 1.06 9.04 -111.81 4 7 2 83 437.588 6
Hi High (pH 8-9.5) 1.06 7.03 -68.39 3 7 1 82 436.58 6

Activity (Go SEA)

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