UCSF

ZINC44510223

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 19 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) 1.77 3.77 -7.74 3 4 0 60 257.337 4
Mid Mid (pH 6-8) 1.77 4.26 -30.34 4 4 1 61 258.345 4

Activity (Go SEA)

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