UCSF

ZINC47967614

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2010 26 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) 0.56 5.62 -43.19 1 7 1 58 367.514 6
Hi High (pH 8-9.5) 0.56 3.59 -14.57 0 7 0 56 366.506 6

Activity (Go SEA)

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