UCSF

ZINC32026809

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) -1.20 -0.71 -12.68 3 5 0 85 207.233 5
Lo Low (pH 4.5-6) -1.20 -0.27 -45.86 4 5 1 86 208.241 5

Activity (Go SEA)

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