UCSF

ZINC26572786

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 29 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) 3.91 7.3 -18.22 2 7 0 101 430.555 6
Hi High (pH 8-9.5) 3.97 6.46 -101.8 0 7 -2 109 428.539 6
Hi High (pH 8-9.5) 3.97 6.39 -51.55 1 7 -1 107 429.547 6
Hi High (pH 8-9.5) 3.91 7.37 -43.35 1 7 -1 103 429.547 6

Activity (Go SEA)

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