UCSF

ZINC22171650

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 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) 2.10 5.04 -118.18 4 3 2 41 260.328 7
Mid Mid (pH 6-8) 2.10 3.16 -48.42 3 3 1 40 259.32 7

Activity (Go SEA)

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