UCSF

ZINC20181682

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 15 Yes

Other Names:

MFCD10016000

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) -1.58 -2.79 -52.01 3 6 1 71 237.349 4
Lo Low (pH 4.5-6) -1.58 -0.45 -128.14 4 6 2 73 238.357 4

Activity (Go SEA)

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