UCSF

ZINC06673709

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2006 22 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) 3.44 5.79 -10.69 2 5 0 74 313.744 2
Hi High (pH 8-9.5) 3.89 4.04 -44.34 1 5 -1 77 312.736 2
Hi High (pH 8-9.5) 3.89 3.73 -55.82 1 5 -1 77 312.736 2

Activity (Go SEA)

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