UCSF

ZINC04823727

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 20 Yes

CAS Number: 3868-33-5

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) -1.05 -5 -15.78 7 10 0 166 282.26 2
Lo Low (pH 4.5-6) -1.05 -4.63 -34.6 8 10 1 167 283.268 2
Lo Low (pH 4.5-6) -1.05 -8.99 -35.44 8 10 1 167 283.268 2

Activity (Go SEA)

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