UCSF

ZINC34670623

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 3.84 7.89 -7.26 0 3 0 22 315.388 5
Lo Low (pH 4.5-6) 3.84 10.15 -45.61 1 3 1 23 316.396 5

Activity (Go SEA)

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