UCSF

ZINC49092923

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.55 9.91 -47.46 1 3 1 25 307.414 6
Mid Mid (pH 6-8) 2.55 7.66 -11.62 0 3 0 24 306.406 6

Activity (Go SEA)

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