UCSF

ZINC36197991

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 16 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) 1.99 6.27 -4.76 2 4 0 47 222.336 5
Mid Mid (pH 6-8) 1.99 6.39 -23.94 3 4 1 48 223.344 5

Activity (Go SEA)

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