UCSF

ZINC04105019

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 19 Yes

Other Names:

MFCD05669068

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) 2.65 6.79 -55.5 1 5 -1 82 295.727 3
Lo Low (pH 4.5-6) 2.65 4.85 -16.97 2 5 0 79 296.735 3

Activity (Go SEA)

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