UCSF

ZINC39856717

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 35 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) 7.57 16.5 -19.64 1 5 0 60 486.637 12
Hi High (pH 8-9.5) 7.75 14.1 -47.93 0 5 -1 67 485.629 12

Activity (Go SEA)

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