UCSF

ZINC31946271

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) -0.53 2.7 -60.93 4 5 1 74 233.295 4
Lo Low (pH 4.5-6) -0.53 3.11 -89.56 5 5 2 75 234.303 4

Activity (Go SEA)

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