UCSF

ZINC39870271

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) 4.89 10.46 -20.07 1 6 0 88 353.403 4
Mid Mid (pH 6-8) 4.89 9.79 -48.4 0 6 -1 90 352.395 4

Activity (Go SEA)

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