UCSF

ZINC00360648

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2005 22 Yes

Other Names:

MFCD05740391

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) 3.27 -0.56 -35.76 2 3 1 38 293.39 6
Lo Low (pH 4.5-6) 3.27 -0.5 -108.66 3 3 2 39 294.398 6

Activity (Go SEA)

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