UCSF

ZINC34674389

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2009 18 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) -0.90 2.65 -54.14 3 6 1 92 253.326 6
Hi High (pH 8-9.5) -1.14 1.27 -55.77 2 6 0 95 252.318 6

Activity (Go SEA)

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