UCSF

ZINC19364305

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 9 Yes

Other Names:

MFCD04363584

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) 0.30 1.45 -116.46 5 2 2 44 130.235 3
Hi High (pH 8-9.5) 0.30 0.18 -41.96 4 2 1 40 129.227 3
Mid Mid (pH 6-8) 0.30 1.07 -35.77 4 2 1 43 129.227 3

Activity (Go SEA)

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