UCSF

ZINC35834778

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 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) 3.64 8.04 -19.75 1 8 0 74 462.55 7
Mid Mid (pH 6-8) 3.64 10.31 -54.96 2 8 1 76 463.558 7

Activity (Go SEA)

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