UCSF

ZINC48880495

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 23 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) 3.44 8.23 -14.93 0 5 0 60 307.353 6
Mid Mid (pH 6-8) 3.44 8.73 -34.45 1 5 1 61 308.361 6

Activity (Go SEA)

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