UCSF

ZINC62951132

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 3.21 6.77 -47.74 3 2 1 31 251.369 3
Hi High (pH 8-9.5) 3.21 6.37 -3.03 2 2 0 29 250.361 3

Activity (Go SEA)

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