UCSF

ZINC63730588

Substance Information

In ZINC since Heavy atoms Benign functionality
June 4th, 2011 17 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) 2.79 8.4 -43.88 1 4 1 40 255.725 4
Hi High (pH 8-9.5) 2.79 5.93 -8.02 0 4 0 38 254.717 4

Activity (Go SEA)

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