UCSF

ZINC39856667

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.82 13.54 -19.73 1 5 0 60 448.519 9
Hi High (pH 8-9.5) 6.00 11.15 -49.59 0 5 -1 67 447.511 9

Activity (Go SEA)

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