UCSF

ZINC34463126

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 16 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) 1.63 3.14 -7.29 2 4 0 67 224.256 5
Hi High (pH 8-9.5) 1.63 3.73 -51.45 1 4 -1 70 223.248 5

Activity (Go SEA)

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