UCSF

ZINC35835135

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 37 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) 2.08 11.16 -25.82 1 9 0 100 502.619 10
Lo Low (pH 4.5-6) 2.08 11.51 -50.65 2 9 1 102 503.627 10

Activity (Go SEA)

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