UCSF

ZINC42457904

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.74 5.3 -116.09 4 2 2 32 174.332 6
Mid Mid (pH 6-8) 1.74 3.31 -35.77 3 2 1 31 173.324 6
Mid Mid (pH 6-8) 1.74 4.99 -33.56 3 2 1 30 173.324 6

Activity (Go SEA)

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