UCSF

ZINC49512178

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 25 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) 1.07 4.62 -47.85 3 6 1 66 359.372 7
Mid Mid (pH 6-8) 1.07 2.42 -7.57 2 6 0 65 358.364 7

Activity (Go SEA)

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