UCSF

ZINC58647867

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2011 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) 1.33 4 -101.94 4 5 2 60 296.411 8
Mid Mid (pH 6-8) 1.33 4.53 -41.62 3 5 1 63 295.403 8
Mid Mid (pH 6-8) 1.33 1.47 -38.96 3 5 1 59 295.403 8

Activity (Go SEA)

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