UCSF

ZINC00680227

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 26 No

Other Names:

MFCD02070741

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) 2.62 5.42 -12.13 2 5 0 101 351.36 1
Lo Low (pH 4.5-6) 2.62 5.26 -54.02 3 5 1 102 352.368 1

Activity (Go SEA)

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