UCSF

ZINC35031054

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 26 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) 4.63 12.77 -38.18 2 2 1 25 346.494 8
Hi High (pH 8-9.5) 4.63 11.43 -3.73 1 2 0 23 345.486 8

Activity (Go SEA)

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