UCSF

ZINC04245221

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 15 No

Other Names:

MFCD06740012

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) 2.91 5.82 -6.62 2 2 0 39 222.288 1
Lo Low (pH 4.5-6) 2.91 6.09 -30.76 3 2 1 40 223.296 1

Activity (Go SEA)

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