UCSF

ZINC20375091

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.15 8.18 -42.17 2 5 1 50 345.854 4
Mid Mid (pH 6-8) 3.15 5.8 -10.62 1 5 0 48 344.846 4

Activity (Go SEA)

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