UCSF

ZINC05636943

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 24 Yes

Other Names:

MFCD03109956

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) 4.76 7.01 -13.61 1 4 0 60 356.683 3
Mid Mid (pH 6-8) 4.76 7.79 -36.63 0 4 -1 63 355.675 3

Activity (Go SEA)

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