UCSF

ZINC10249066

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2007 33 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) 3.68 -3.41 -11.34 1 9 0 101 471.631 6
Mid Mid (pH 6-8) 3.68 -3.13 -40.72 2 9 1 102 472.639 6

Activity (Go SEA)

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