UCSF

ZINC22009015

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 26 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) 3.93 10.81 -52.21 1 5 1 49 358.389 4
Hi High (pH 8-9.5) 3.93 8.58 -10.44 0 5 0 48 357.381 4

Activity (Go SEA)

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