UCSF

ZINC34928623

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.19 7.22 -30.11 3 5 0 85 277.711 2
Hi High (pH 8-9.5) 0.19 6.33 -47.44 2 5 -1 81 276.703 2
Lo Low (pH 4.5-6) 0.19 6.75 -51.62 3 5 0 82 277.711 2

Activity (Go SEA)

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