UCSF

ZINC31935202

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 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) 4.06 9.8 -64.82 3 3 1 45 322.476 4
Lo Low (pH 4.5-6) 4.06 10.2 -99.21 4 3 2 46 323.484 4

Activity (Go SEA)

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