UCSF

ZINC04244746

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 20 Yes

Other Names:

MFCD03425035

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) 1.01 -1.89 -58 3 5 1 68 275.328 6
Lo Low (pH 4.5-6) 1.01 -1.78 -121.24 4 5 2 69 276.336 6

Activity (Go SEA)

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