UCSF

ZINC00360315

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2005 20 Yes

Other Names:

MFCD05740154

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) 1.80 -0.08 -47.38 2 4 1 47 273.356 7
Lo Low (pH 4.5-6) 1.80 0.03 -103.43 3 4 2 49 274.364 7

Activity (Go SEA)

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