UCSF

ZINC22123130

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.43 6.99 -32.84 1 3 1 31 200.302 3
Mid Mid (pH 6-8) 2.43 5.16 -4.05 0 3 0 30 199.294 3

Activity (Go SEA)

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