UCSF

ZINC60197722

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2011 19 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) 0.75 4.45 -89.68 4 4 2 54 263.385 6
Hi High (pH 8-9.5) 0.75 3.09 -48.32 3 4 1 49 262.377 6

Activity (Go SEA)

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