UCSF

ZINC29993522

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2009 31 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) 2.69 6.24 -17.5 2 7 0 80 423.513 8
Lo Low (pH 4.5-6) 2.69 8.19 -52.78 3 7 1 81 424.521 8

Activity (Go SEA)

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