UCSF

ZINC60237290

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 18 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) -0.24 3.22 -44.31 4 5 1 77 254.354 3
Hi High (pH 8-9.5) -0.24 2.89 -17.37 3 5 0 75 253.346 3

Activity (Go SEA)

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