UCSF

ZINC34823800

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 15 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.99 5.56 -38.49 2 4 1 38 211.333 4
Hi High (pH 8-9.5) 0.99 4.24 -24.27 2 4 1 34 211.333 4
Hi High (pH 8-9.5) 0.99 4.11 -4.77 1 4 0 33 210.325 4
Mid Mid (pH 6-8) 0.99 5.69 -90.5 3 4 2 39 212.341 4

Activity (Go SEA)

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