UCSF

ZINC05731243

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 16 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) 1.36 -0.48 -10.65 4 6 0 100 283.085 1
Ref Reference (pH 7) 1.36 -0.6 -10.49 4 6 0 100 283.085 1
Hi High (pH 8-9.5) 1.82 -2.24 -39.99 3 6 -1 103 282.077 1
Hi High (pH 8-9.5) 1.82 -2.48 -38.41 3 6 -1 103 282.077 1

Activity (Go SEA)

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