UCSF

ZINC35810135

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 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) 5.68 16.8 -36.76 1 3 1 25 441.639 8
Mid Mid (pH 6-8) 5.68 14.81 -8.06 0 3 0 24 440.631 8

Activity (Go SEA)

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