UCSF

ZINC35553153

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 29 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) 5.39 12.85 -6.57 0 4 0 32 406.599 4
Lo Low (pH 4.5-6) 5.39 15.12 -46.78 1 4 1 33 407.607 4

Activity (Go SEA)

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