UCSF

ZINC35643508

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 35 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) 4.35 11.27 -13.21 1 8 0 82 496.633 8
Mid Mid (pH 6-8) 4.35 11.61 -49.01 2 8 1 83 497.641 8

Activity (Go SEA)

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