UCSF

ZINC33935434

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 26 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) 3.05 8.54 -24.6 3 5 0 62 358.506 10
Mid Mid (pH 6-8) 3.05 8.42 -10.52 2 5 0 61 357.498 10

Activity (Go SEA)

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