UCSF

ZINC17107472

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 13 Yes

CAS Number: 05/12/2427

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) -0.56 0.36 -22.01 3 6 0 87 179.183 0
Lo Low (pH 4.5-6) -0.56 0.76 -38.44 4 6 1 89 180.191 0

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.