UCSF

ZINC13057160

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2008 20 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) 3.37 8.21 -37.63 2 3 1 34 283.342 3
Hi High (pH 8-9.5) 3.37 6.02 -11.32 1 3 0 32 282.334 3
Hi High (pH 8-9.5) 3.19 7.27 -31.53 1 3 0 40 282.334 3

Activity (Go SEA)

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