UCSF

ZINC21981401

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 23 Yes

CAS Number: 124832-27-5

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) -2.06 -1.26 -71.83 5 10 0 144 326.357 8
Mid Mid (pH 6-8) -2.06 -1.56 -45.87 4 10 -1 142 325.349 8
Mid Mid (pH 6-8) -2.06 -1.59 -23.66 5 10 0 145 326.357 8
Lo Low (pH 4.5-6) -2.06 -0.05 -96.12 7 10 2 148 328.373 8

Activity (Go SEA)

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

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