UCSF

ZINC34949413

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 29 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) 3.36 7.84 -10.75 1 6 0 54 401.482 8
Mid Mid (pH 6-8) 3.36 10.1 -39.73 2 6 1 55 402.49 8

Activity (Go SEA)

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