UCSF

ZINC39246625

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 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) 0.22 0.44 -4.76 1 4 0 42 172.228 3
Mid Mid (pH 6-8) 0.22 2.81 -38.59 2 4 1 43 173.236 3

Activity (Go SEA)

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