UCSF

ZINC08742833

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 25 No

Other Names:

MFCD02220523

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) 2.24 9.41 -52.76 0 5 -1 63 352.439 2
Lo Low (pH 4.5-6) 1.78 10.5 -13.29 1 5 0 60 353.447 2

Activity (Go SEA)

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