UCSF

ZINC04586412

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.26 8.13 -14.84 2 4 0 54 315.442 8
Lo Low (pH 4.5-6) 4.26 8.47 -34.46 3 4 1 55 316.45 8

Activity (Go SEA)

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