UCSF

ZINC34825066

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) 3.08 8.99 -44.5 2 3 1 33 258.389 5
Hi High (pH 8-9.5) 3.08 7.5 -5.37 1 3 0 28 257.381 5
Mid Mid (pH 6-8) 3.08 9.33 -92.33 3 3 2 34 259.397 5

Activity (Go SEA)

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