UCSF

ZINC17176146

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 11 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) 0.77 -2.37 -8.33 2 4 0 70 153.137 2
Ref Reference (pH 7) 1.59 -2.29 -9.17 3 4 0 73 153.137 1
Hi High (pH 8-9.5) 0.40 0.49 -41.43 2 4 -1 72 152.129 1

Activity (Go SEA)

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