UCSF

ZINC34669888

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 34 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) 5.09 11.93 -14.93 1 5 0 51 458.602 9
Mid Mid (pH 6-8) 5.09 13.31 -42.77 2 5 1 52 459.61 9

Activity (Go SEA)

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