UCSF

ZINC34981329

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) 2.83 8.14 -125.77 3 5 2 60 296.411 7
Mid Mid (pH 6-8) 2.83 6.99 -38.06 2 5 1 56 295.403 7
Mid Mid (pH 6-8) 2.83 6.18 -46.72 2 5 1 59 295.403 7

Activity (Go SEA)

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