UCSF

ZINC22461268

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 22 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) 2.18 6.01 -42.64 2 4 1 37 316.347 5
Mid Mid (pH 6-8) 2.18 5.88 -45.91 2 4 1 37 316.347 5
Mid Mid (pH 6-8) 2.18 3.54 -9.1 1 4 0 36 315.339 5

Activity (Go SEA)

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