UCSF

ZINC31972258

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 0.51 2.42 -52.11 1 8 -1 108 321.309 6
Lo Low (pH 4.5-6) 0.51 1.3 -17.66 2 8 0 105 322.317 6

Activity (Go SEA)

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