UCSF

ZINC34929607

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 37 No

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) 4.19 11.51 -10.35 2 6 0 68 515.057 8
Mid Mid (pH 6-8) 4.19 13.72 -52.18 3 6 1 70 516.065 8

Activity (Go SEA)

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