UCSF

ZINC34824859

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 19 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) 3.13 8.93 -45.48 2 3 1 33 258.389 6
Hi High (pH 8-9.5) 3.13 7.49 -5.91 1 3 0 28 257.381 6
Mid Mid (pH 6-8) 3.13 9.39 -92.17 3 3 2 34 259.397 6

Activity (Go SEA)

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