UCSF

ZINC35500604

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 2.46 3.1 -9.06 2 4 0 58 296.195 4
Mid Mid (pH 6-8) 2.92 0.46 -44.51 1 4 -1 61 295.187 4
Mid Mid (pH 6-8) 2.46 3.87 -51.62 3 4 1 63 297.203 4

Activity (Go SEA)

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