UCSF

ZINC16334400

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2008 21 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) 2.39 7.18 -36.71 2 5 1 54 298.451 6
Hi High (pH 8-9.5) 2.39 4.98 -12.07 1 5 0 53 297.443 6

Activity (Go SEA)

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