UCSF

ZINC29124630

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 29 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) 1.24 7.42 -105.13 3 7 0 102 401.438 5
Mid Mid (pH 6-8) -1.50 6.46 -76.5 4 7 1 105 402.446 4

Activity (Go SEA)

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