UCSF

ZINC09837274

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2007 27 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) 4.04 10.63 -18.01 1 5 0 62 408.861 6
Hi High (pH 8-9.5) 4.04 10.47 -50.11 0 5 -1 60 407.853 6

Activity (Go SEA)

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