UCSF

ZINC04245293

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 14 No

Other Names:

MFCD06739834

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) 3.41 5.49 -6.8 2 2 0 39 245.134 1
Lo Low (pH 4.5-6) 3.41 5.74 -25.52 3 2 1 40 246.142 1

Activity (Go SEA)

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