UCSF

ZINC06871031

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2006 31 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) 4.17 13.46 -9.58 0 5 0 63 414.436 3
Lo Low (pH 4.5-6) 4.17 13.64 -32.53 1 5 1 65 415.444 3

Activity (Go SEA)

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