UCSF

ZINC04271692

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 10 No

Other Names:

MFCD00083561

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) 1.90 5.64 -3.6 0 2 0 26 162.254 6
Hi High (pH 8-9.5) 1.90 6.18 -40.91 0 2 -1 26 161.246 6

Activity (Go SEA)

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