UCSF

ZINC35797704

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 34 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) 2.60 9.86 -21.92 0 8 0 79 465.55 8
Mid Mid (pH 6-8) 2.60 12.21 -55.59 1 8 1 81 466.558 8

Activity (Go SEA)

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