UCSF

ZINC20828142

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 22 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) 4.90 7.65 -9.8 2 2 0 32 299.32 3
Hi High (pH 8-9.5) 4.90 8.28 -40.37 1 2 -1 35 298.312 3

Activity (Go SEA)

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