UCSF

ZINC35864675

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 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) 2.10 8.9 -14.6 0 7 0 62 465.594 7
Mid Mid (pH 6-8) 2.10 11.2 -46.35 1 7 1 64 466.602 7

Activity (Go SEA)

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