UCSF

ZINC38609595

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 28 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) 5.47 9.15 -9.97 2 5 0 69 440.341 6
Mid Mid (pH 6-8) 5.47 9.92 -49.4 1 5 -1 72 439.333 6

Activity (Go SEA)

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