UCSF

ZINC38582802

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 24 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) 3.71 8.11 -39.26 3 5 1 64 345.492 6
Mid Mid (pH 6-8) 3.71 7.17 -20.77 2 5 0 62 344.484 6

Activity (Go SEA)

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