UCSF

ZINC35815668

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 37 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) 5.86 15.5 -10.14 0 4 0 36 515.698 12
Mid Mid (pH 6-8) 5.86 18.69 -59.13 1 4 1 38 516.706 12

Activity (Go SEA)

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