UCSF

ZINC34981315

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 2.11 6.28 -47.32 2 5 1 59 297.419 9
Hi High (pH 8-9.5) 2.11 4.92 -5.5 1 5 0 55 296.411 9
Mid Mid (pH 6-8) 2.11 8.18 -122.21 3 5 2 60 298.427 9
Mid Mid (pH 6-8) 2.11 6.84 -36.14 2 5 1 56 297.419 9

Activity (Go SEA)

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