UCSF

ZINC05011171

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2006 17 No

CAS Number: 29808-81-9

Other Names:

MFCD07776937

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) 3.10 7.76 -9.43 0 4 0 59 224.219 1
Lo Low (pH 4.5-6) 3.10 8.04 -35.63 1 4 1 60 225.227 1

Activity (Go SEA)

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