UCSF

ZINC31997365

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 17 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) 1.89 6.33 -49.66 0 4 -1 62 228.227 4
Lo Low (pH 4.5-6) 1.89 6.65 -67.94 1 4 0 63 229.235 4

Activity (Go SEA)

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