UCSF

ZINC34945830

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 4.98 13.69 -14.29 1 6 0 56 484.644 8
Mid Mid (pH 6-8) 4.98 15.91 -52.78 2 6 1 57 485.652 8

Activity (Go SEA)

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