UCSF

ZINC46055392

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 24 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) 3.35 6.38 -34.84 2 4 1 37 355.93 7
Mid Mid (pH 6-8) 3.35 6.83 -39.64 2 4 1 37 355.93 7
Mid Mid (pH 6-8) 3.35 4.53 -5.68 1 4 0 36 354.922 7

Activity (Go SEA)

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