UCSF

ZINC21790444

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 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) 3.87 6.62 -31.85 2 3 0 49 306.233 8
Mid Mid (pH 6-8) 3.87 5.96 -42.4 3 3 1 46 307.241 8

Activity (Go SEA)

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