UCSF

ZINC60049342

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 0.51 0.66 -107.91 6 5 2 83 282.384 7
Hi High (pH 8-9.5) 0.51 -0.71 -43.05 5 5 1 78 281.376 7

Activity (Go SEA)

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