UCSF

ZINC39052033

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 11 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) 2.25 6.34 -4.25 0 1 0 13 147.221 2
Mid Mid (pH 6-8) 2.25 6.83 -24.44 1 1 1 14 148.229 2

Activity (Go SEA)

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