UCSF

ZINC09044309

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 24 No

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) 4.33 8.29 -22.83 1 4 0 59 377.252 3
Hi High (pH 8-9.5) 5.72 5.82 -43.34 0 4 -1 65 376.244 2
Hi High (pH 8-9.5) 4.40 6.73 -50.24 0 4 -1 65 376.244 3

Activity (Go SEA)

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