UCSF

ZINC25860896

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 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) 2.91 7.06 -55.93 2 7 1 74 449.572 9
Mid Mid (pH 6-8) 2.91 4.75 -14.9 1 7 0 73 448.564 9

Activity (Go SEA)

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