UCSF

ZINC05730796

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.60 5.57 -19.35 2 5 0 71 262.338 4
Hi High (pH 8-9.5) 1.60 5.43 -43.92 1 5 -1 69 261.33 4

Activity (Go SEA)

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