UCSF

ZINC34624161

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 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) -0.36 -0.09 -185.77 8 4 3 75 231.408 8
Hi High (pH 8-9.5) -0.36 -0.49 -100.97 7 4 2 74 230.4 8
Hi High (pH 8-9.5) -0.36 -1.25 -104 7 4 2 71 230.4 8

Activity (Go SEA)

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