UCSF

ZINC06702924

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 16 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) 2.81 6.14 -12.74 1 4 0 51 235.312 4
Hi High (pH 8-9.5) 2.81 5.98 -49.8 0 4 -1 49 234.304 4

Activity (Go SEA)

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