UCSF

ZINC34950380

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 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) 3.75 10.79 -10.76 3 10 0 117 466.542 9
Mid Mid (pH 6-8) 3.75 13.11 -42.67 4 10 1 118 467.55 9

Activity (Go SEA)

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