UCSF

ZINC35843666

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 35 No

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) 5.64 14.38 -22.12 1 6 0 66 518.485 12
Mid Mid (pH 6-8) 5.64 15.66 -43.71 2 6 1 67 519.493 12

Activity (Go SEA)

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