UCSF

ZINC23139701

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 17 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) 0.10 1.09 -49.81 3 6 1 77 274.395 4
Mid Mid (pH 6-8) 0.10 -1.38 -11.92 2 6 0 75 273.387 4

Activity (Go SEA)

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