UCSF

ZINC12211355

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 24 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) 3.88 11.79 -41.73 2 5 1 57 360.532 6
Mid Mid (pH 6-8) 3.88 11.28 -13.12 1 5 0 56 359.524 6

Activity (Go SEA)

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