UCSF

ZINC39318905

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 14 Yes

Other Names:

MFCD21096838

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) 1.60 3.48 -43.43 3 2 1 31 213.732 5
Lo Low (pH 4.5-6) 1.60 5.63 -118.15 4 2 2 32 214.74 5

Activity (Go SEA)

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