UCSF

ZINC35861264

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 36 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) 3.77 12.8 -21.05 0 6 0 53 483.612 5
Mid Mid (pH 6-8) 3.77 15.16 -59.11 1 6 1 54 484.62 5

Activity (Go SEA)

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