UCSF

ZINC29077955

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 29 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) 1.07 5.41 -17.42 3 9 0 126 393.403 5
Hi High (pH 8-9.5) 1.52 2.89 -57.71 2 9 -1 129 392.395 5

Activity (Go SEA)

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