UCSF

ZINC39123413

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 12 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) 2.21 7.38 -33.78 1 1 1 4 182.312 1
Mid Mid (pH 6-8) 2.21 5.11 -2.91 0 1 0 3 181.304 1

Activity (Go SEA)

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