UCSF

ZINC31945282

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 2.22 4.05 -56.89 0 5 -1 65 303.363 4
Lo Low (pH 4.5-6) 2.22 6.4 -89.62 1 5 0 67 304.371 4

Activity (Go SEA)

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