UCSF

ZINC34992994

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 3.15 5.52 -42.33 3 4 1 55 330.246 8
Hi High (pH 8-9.5) 3.15 4.15 -8.92 2 4 0 50 329.238 8

Activity (Go SEA)

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