UCSF

ZINC42640127

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2010 29 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) 2.46 8.4 -52.18 3 7 1 75 395.483 5
Mid Mid (pH 6-8) 2.46 6.04 -17.5 2 7 0 74 394.475 5

Activity (Go SEA)

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