UCSF

ZINC35815698

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 39 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.77 14.94 -10.77 1 4 0 45 537.773 12
Mid Mid (pH 6-8) 6.77 17.18 -53.72 2 4 1 46 538.781 12

Activity (Go SEA)

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