UCSF

ZINC39870335

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 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) 4.93 10.55 -19.45 1 6 0 88 353.403 5
Mid Mid (pH 6-8) 4.93 9.86 -47.88 0 6 -1 90 352.395 5

Activity (Go SEA)

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