UCSF

ZINC01367786

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 28 Yes

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) 4.02 11.46 -15.06 0 4 0 46 393.918 5
Lo Low (pH 4.5-6) 4.02 11.74 -37.7 1 4 1 47 394.926 5

Activity (Go SEA)

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